EPAWTFT/Manuscript/EPAWTFT.bib

2790 lines
119 KiB
BibTeX
Raw Permalink Blame History

This file contains ambiguous Unicode characters

This file contains Unicode characters that might be confused with other characters. If you think that this is intentional, you can safely ignore this warning. Use the Escape button to reveal them.

%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2021-01-29 20:57:57 +0100
%% Saved with string encoding Unicode (UTF-8)
@article{Surjan_1998,
author = {Surj{\'a}n, P{\'e}ter R. and K{\'a}llay, Mih{\'a}ly and Szabados, {\'A}gnes},
date-added = {2020-12-14 09:49:56 +0100},
date-modified = {2020-12-14 09:50:03 +0100},
doi = {https://doi.org/10.1002/(SICI)1097-461X(1998)70:4/5<571::AID-QUA3>3.0.CO;2-S},
journal = {Int. J. Quantum Chem.},
number = {45},
pages = {571-581},
title = {Nonconventional partitioning of the many-body Hamiltonian for studying correlation effects},
volume = {70},
year = {1998},
Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1998)70:4/5%3C571::AID-QUA3%3E3.0.CO;2-S}}
@article{Surjan_2002,
abstract = {Abstract With the aid of L{\"o}wdin's partitioning theory, an infinite series for the eigenvalue of the Schr{\"o}dinger equation is derived which does not contain energy differences in denominators. The resulting formulae are compared to those of constant denominator methods, such as perturbation theory within the Uns{\o}ld approximation and the connected moment expansion (CMX). The Uns{\o}ld formulae are easily obtained from partitioning theory by a suitable choice of the zero order Hamiltonian. Optimizing the value of the energy denominator using the first order wave function in a size-consistent way, the third order Uns{\o}ld correction vanishes, and the corresponding energy correction formula of the CMX is recovered at the second order. {\copyright} 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002},
author = {Surj{\'a}n, P{\'e}ter R. and Szabados, {\'A}gnes},
date-added = {2020-12-14 09:48:02 +0100},
date-modified = {2020-12-14 09:48:14 +0100},
doi = {https://doi.org/10.1002/qua.935},
journal = {Int. J. Quantum Chem.},
number = {1},
pages = {20-26},
title = {Constant denominator perturbative schemes and the partitioning technique},
volume = {90},
year = {2002},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.935},
Bdsk-Url-2 = {https://doi.org/10.1002/qua.935}}
@article{Szabados_2003,
abstract = {Abstract In computing ionization potentials via perturbative solution of the equation of motion for the ionization operator, we apply the technique of ``partitioning optimization'' elaborated recently for the calculation of correlation energy. Sample calculations indicate that second-order results may improve if the partitioning is optimized. {\copyright} 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003},
author = {Szabados, {\'A}gnes and Surj{\'a}n, P{\'e}ter R.},
date-added = {2020-12-14 09:47:13 +0100},
date-modified = {2020-12-14 09:47:27 +0100},
doi = {https://doi.org/10.1002/qua.10502},
journal = {Int. J. Quantum Chem.},
number = {2},
pages = {160-167},
title = {Optimized partitioning in PT: Application for the equation of motion describing ionization processes},
volume = {92},
year = {2003},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.10502},
Bdsk-Url-2 = {https://doi.org/10.1002/qua.10502}}
@article{Szabados_1999,
abstract = {Finite-order perturbation corrections are ambiguous since they depend on the partitioning of the Hamiltonian to a zero-order part and perturbation, and any chosen partitioning can be freely modified, e.g. by level shift projectors. To optimize low-order corrections, an approximate variational procedure is proposed to determine level shift parameters from the first-order Ansatz for the wavefunction. The resulting new partitioning scheme provides significantly better second-order results than those obtained by standard partitions like Epstein--Nesbet or M{\o}ller--Plesset. We treat the anharmonic oscillator and the atomic electron correlation energy in He, Be and Ne as numerical test cases.},
author = {A. Szabados and P.R Surjan},
date-added = {2020-12-14 09:46:14 +0100},
date-modified = {2020-12-14 09:46:34 +0100},
doi = {https://doi.org/10.1016/S0009-2614(99)00647-8},
journal = {Chem. Phys. Lett.},
number = {3},
pages = {303 - 309},
title = {Optimized partitioning in Rayleigh--Schr{\"o}dinger perturbation theory},
volume = {308},
year = {1999},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261499006478},
Bdsk-Url-2 = {https://doi.org/10.1016/S0009-2614(99)00647-8}}
@article{Malrieu_2003,
author = {Jean-Paul Malrieu and Celestino Angeli},
date-added = {2020-12-14 09:43:50 +0100},
date-modified = {2020-12-14 09:44:08 +0100},
doi = {10.1080/00268976.2013.788745},
journal = {Mol. Phys.},
number = {9-11},
pages = {1092-1099},
title = {The M{\o}ller--Plesset perturbation revisited: origin of high-order divergences},
volume = {111},
year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2013.788745}}
@article{Adams_1990,
abstract = {Abstract We review the nature of the problem in the framework of Rayleigh--Schr{\"o}dinger perturbation theory (the polarization approximation) considering explicitly two examples: the interaction of two hydrogen atoms and the interaction of Li with H. We show, in agreement with the work of Claverie and of Morgan and Simon, that the LiH problem is dramatically different from the H2 problem. In particular, the physical states of LiH are higher in energy than an infinite number of discrete, unphysical states and they are buried in a continuum of unbound, unphysical states, which starts well below the lowest physical state. Claverie has shown that the perturbation expansion, under these circumstances, is likely to converge to an unphysical state of lower energy than the physical ground state, if it converges at all. We review, also, the application of two classes of exchange perturbation theory to LiH and larger systems. We show that the spectra of three Eisenschitz--London (EL) class, exchange perturbation theories have no continuum of unphysical states overlaying the physical states and no discrete, unphysical states below the lowest physical state. In contrast, the spectra of two Hirschfelder--Silbey class theories differ hardly at all from that found with the polarization approximation. Not one of the EL class of perturbation theories, however, eliminates all of the discrete unphysical states. The best one establishes a one-to-one correspondence between the lowest energy states of the unperturbed and perturbed Hamiltonians, and a one-to-two correspondence for the higher states. We suggest that the EL class perturbation theories would be good starting points for the development of more effective perturbation theories for intermolecular interactions.},
author = {Adams, William H.},
date-added = {2020-12-14 09:42:36 +0100},
date-modified = {2020-12-14 09:42:48 +0100},
doi = {https://doi.org/10.1002/qua.560382452},
journal = {International Journal of Quantum Chemistry},
number = {S24},
pages = {531-547},
title = {Perturbation theory of intermolecular interactions: What is the problem, are there solutions?},
volume = {38},
year = {1990},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560382452},
Bdsk-Url-2 = {https://doi.org/10.1002/qua.560382452}}
@book{KatoBook,
address = {Berlin},
author = {T. Kato},
date-added = {2020-12-14 09:41:48 +0100},
date-modified = {2020-12-14 09:41:53 +0100},
publisher = {Springer},
title = {Perturbation Theory for Linear Operators},
year = 1966}
@inbook{Surjan_2004,
address = {Dordrecht},
author = {Surj{\'a}n, P{\'e}ter R. and Szabados, {\'A}gnes},
booktitle = {Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov L{\"o}wdin Volume III},
date-added = {2020-12-14 09:38:04 +0100},
date-modified = {2020-12-14 09:38:08 +0100},
doi = {10.1007/978-94-017-0448-9_8},
editor = {Br{\"a}ndas, Erkki J. and Kryachko, Eugene S.},
pages = {129--185},
publisher = {Springer Netherlands},
title = {Appendix to ``Studies in Perturbation Theory'': The Problem of Partitioning},
year = {2004},
Bdsk-Url-1 = {https://doi.org/10.1007/978-94-017-0448-9_8}}
@article{Daas_2020,
author = {Daas,Timothy J. and Grossi,Juri and Vuckovic,Stefan and Musslimani,Ziad H. and Kooi,Derk P. and Seidl,Michael and Giesbertz,Klaas J. H. and Gori-Giorgi,Paola},
date-added = {2020-12-05 21:58:26 +0100},
date-modified = {2020-12-05 22:01:16 +0100},
doi = {10.1063/5.0029084},
journal = {J. Chem. Phys.},
number = {21},
pages = {214112},
title = {Large coupling-strength expansion of the M{\o}ller--Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms},
volume = {153},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1063/5.0029084}}
@article{Barca_2014,
author = {G. M. J. Barca and A. T. B. Gilbert and P. M. W. Gill},
date-added = {2020-12-05 15:45:52 +0100},
date-modified = {2020-12-05 15:45:52 +0100},
doi = {10.1063/1.4896182},
journal = {J. Chem. Phys.},
pages = {111104},
title = {{Hartree--Fock} description of excited states of {H2}},
volume = {141},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4896182}}
@article{Barca_2018a,
author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
date-added = {2020-12-05 15:43:57 +0100},
date-modified = {2020-12-05 15:44:07 +0100},
doi = {10.1021/acs.jctc.7b00994},
journal = {J. Chem. Theory. Comput.},
pages = {1501-1509},
title = {Simple {{Models}} for {{Difficult Electronic Excitations}}},
volume = {14},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00994}}
@article{Barca_2018b,
author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
date-added = {2020-12-05 15:43:57 +0100},
date-modified = {2020-12-05 15:44:19 +0100},
doi = {10.1021/acs.jctc.7b00963},
journal = {J. Chem. Theory. Comput.},
pages = {9-13},
title = {Excitation {{Number}}: {{Characterizing Multiply Excited States}}},
volume = {14},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00963}}
@article{Hirata_2017,
author = {Hirata, So and Doran, Alexander E. and Knowles, Peter J. and Ortiz, J. V.},
date-added = {2020-12-04 17:07:30 +0100},
date-modified = {2020-12-04 17:07:40 +0100},
doi = {10.1063/1.4994837},
journal = {J. Chem. Phys.},
pages = {044108},
title = {One-Particle Many-Body {{Green}}'s Function Theory: {{Algebraic}} Recursive Definitions, Linked-Diagram Theorem, Irreducible-Diagram Theorem, and General-Order Algorithms},
volume = {147},
year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4994837}}
@article{Hirata_2015,
author = {Hirata, So and Hermes, Matthew R. and Simons, Jack and Ortiz, J. V.},
date-added = {2020-12-04 17:07:12 +0100},
date-modified = {2020-12-04 17:07:20 +0100},
doi = {10.1021/acs.jctc.5b00005},
journal = {J. Chem. Theory Comput.},
language = {en},
pages = {1595--1606},
title = {General-{{Order Many}}-{{Body Green}}'s {{Function Method}}},
volume = {11},
year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00005}}
@article{Rauhut_1998,
author = {G. Rauhut, P. Pulay and Hans-Joachim Werner},
doi = {10.1002/(SICI)1096-987X(199808)19:11<1241::AID-JCC4>3.0.CO;2-K},
journal = {J. Comput. Chem.},
pages = {1241},
title = {Integral transformation with loworder scaling for large local secondorder {M\oller--Plesset} calculations},
volume = {19},
year = {1998},
Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1096-987X(199808)19:11%3C1241::AID-JCC4%3E3.0.CO;2-K}}
@article{Schutz_1999,
author = {M. Sch{\"u}tz and G. Hetzer and Hans-Joachim Werner},
doi = {10.1063/1.479957},
journal = {J. Chem. Phys.},
pages = {5691},
title = {Low-order scaling local electron correlation methods. I. Linear scaling local MP2},
volume = {111},
year = {1999},
Bdsk-Url-1 = {https://doi.org/10.1063/1.479957}}
@article{Takeshita_2017,
author = {T. Y. Takeshita and W. A. {de Jong} and D. Neuhauser and R. Baer and E. Rabani},
doi = {10.1021/acs.jctc.7b00343},
journal = {J. Chem. Theory Comput.},
pages = {4605},
title = {Stochastic Formulation of the Resolution of Identity: Application to Second Order {M\oller--Plesset} Perturbation Theory},
volume = {13},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00343}}
@article{Li_2019,
author = {Zhendong Li},
doi = {10.1063/1.5128719},
journal = {J. Chem. Phys.},
pages = {244114},
title = {Stochastic many-body perturbation theory for electron correlation energies},
volume = {151},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5128719}}
@article{Thom_2007,
author = {A. J. W. Thom and A. Alavi},
doi = {10.1103/PhysRevLett.99.143001},
journal = {Phys. Rev. Lett.},
pages = {143001},
title = {Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies},
volume = {99},
year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.99.143001}}
@article{Willow_2012,
author = {S. Y. Willow and K. S. Kim and S. Hirata},
doi = {10.1063/1.4768697},
journal = {J. Chem. Phys.},
pages = {204122},
title = {Stochastic evaluation of second-order many-body perturbation energies},
volume = {137},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4768697}}
@article{Neuhauser_2012,
author = {D. Neuhauser and E. Rabani and R. Baer},
doi = {10.1021/ct.300946j},
journal = {J. Chem. Theory Comput.},
pages = {24},
title = {Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems},
volume = {9},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1021/ct.300946j}}
@article{Lee_2018,
author = {J. Lee and M. Head-Gordon},
doi = {10.1021/acs.jctc.8b00731},
journal = {J. Chem. Theory Comput.},
pages = {5203},
title = {Regularized Orbital-Optimized Second-Order M{\o}ller--Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00731}}
@article{Bertels_2019,
author = {L. W. Bertels and J. Lee and M. Head-Gordon},
doi = {10.1021/acs.jpclett.9b01641},
journal = {J. Phys. Chem. Lett.},
pages = {4170},
title = {Third-Order {M\oller--Plesset} Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions},
volume = {10},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.9b01641}}
@article{CarterFenk_2020,
author = {K. Carter-Fenk and J. M. Herbert},
doi = {10.1021/acs.jctc.0c00502},
journal = {J. Chem. Theory Comput.},
pages = {5067},
title = {State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field Solutions},
volume = {16},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00502}}
@article{Rettig_2020,
author = {A. Rettig and D. Hait and L. W. Bertels and M. Head-Gordon},
doi = {10.1021/acs.jctc.0c00986},
journal = {J. Chem. Theory Comput.},
title = {Third-Order {M\oller--Plesset} Theory Made More Useful? The Role of Density Functional Theory Orbitals},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00986}}
@article{Neese_2009,
author = {F. Neese and T. Schwabe and S. Kossmann and B. Schirmer and S. Grimme},
date-modified = {2020-12-05 22:03:54 +0100},
doi = {10.1021/ct9003299},
journal = {J. Chem. Theory Comput.},
pages = {3060},
title = {Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics},
volume = {5},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1021/ct9003299}}
@article{Bozkaya_2011,
author = {U. Bozkaya},
doi = {10.1063/1.3665134},
journal = {J. Chem. Phys.},
pages = {224103},
title = {Orbital-optimized third-order {M\oller--Plesset} perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems},
volume = {135},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3665134}}
@article{Lee_2019,
author = {Joonho Lee and David W. Small and Martin Head-Gordon},
doi = {10.1063/1.5128795},
journal = {J. Chem. Phys.},
pages = {214103},
title = {Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states},
volume = {151},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5128795}}
@article{Shepherd_2016,
author = {Shepherd,James J. and Henderson,Thomas M. and Scuseria,Gustavo E.},
date-added = {2020-12-04 09:50:38 +0100},
date-modified = {2020-12-04 09:50:55 +0100},
doi = {10.1063/1.4942770},
journal = {J. Chem. Phys.},
pages = {094112},
title = {Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction},
volume = {144},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4942770}}
@article{Henderson_2015,
author = {Henderson,Thomas M. and Bulik,Ireneusz W. and Scuseria,Gustavo E.},
date-added = {2020-12-04 09:47:58 +0100},
date-modified = {2020-12-04 09:48:17 +0100},
doi = {10.1063/1.4921986},
journal = {J. Chem. Phys.},
pages = {214116},
title = {Pair extended coupled cluster doubles},
volume = {142},
year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4921986}}
@article{Olevano_2019,
author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter},
date-added = {2020-12-04 09:46:46 +0100},
date-modified = {2020-12-04 09:46:46 +0100},
doi = {10.1063/1.5080330},
journal = {J. Chem. Phys.},
number = {8},
pages = {084112},
title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5080330}}
@article{Stein_2014,
author = {Stein,Tamar and Henderson,Thomas M. and Scuseria,Gustavo E.},
date-added = {2020-12-04 09:43:40 +0100},
date-modified = {2020-12-04 09:43:58 +0100},
doi = {10.1063/1.4880819},
journal = {J. Chem. Phys.},
pages = {214113},
title = {Seniority zero pair coupled cluster doubles theory},
volume = {140},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4880819}}
@article{Cohen_2016,
author = {Cohen, Aron J. and Mori-S\'anchez, Paula},
date-added = {2020-12-04 09:41:48 +0100},
date-modified = {2020-12-04 09:42:00 +0100},
doi = {10.1103/PhysRevA.93.042511},
journal = {Phys. Rev. A},
pages = {042511},
title = {Landscape of an exact energy functional},
volume = {93},
year = {2016},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.93.042511},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.93.042511}}
@inbook{Lowdin_1958,
abstract = {Summary This chapter contains sections titled: Introduction Formulation of the Correlation Problem Methods for Treating Electronic Correlation Recent Developments; Concluding Remarks},
author = {L\"owdin, Per-Olov},
booktitle = {Adv. Chem. Phys.},
date-added = {2020-12-04 09:13:16 +0100},
date-modified = {2020-12-04 09:16:18 +0100},
doi = {https://doi.org/10.1002/9780470143483.ch7},
pages = {207-322},
publisher = {John Wiley \& Sons, Ltd},
title = {Correlation Problem in Many-Electron Quantum Mechanics I. Review of Different Approaches and Discussion of Some Current Ideas},
year = {1958},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/9780470143483.ch7},
Bdsk-Url-2 = {https://doi.org/10.1002/9780470143483.ch7}}
@article{Schrodinger_1926,
author = {Schr{\"o}dinger, E.},
date-added = {2020-12-03 21:17:40 +0100},
date-modified = {2020-12-03 21:54:24 +0100},
doi = {https://doi.org/10.1002/andp.19263840404},
journal = {Ann. Phys.},
number = {4},
pages = {361-376},
title = {Quantisierung als Eigenwertproblem},
volume = {384},
year = {1926},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/andp.19263840404},
Bdsk-Url-2 = {https://doi.org/10.1002/andp.19263840404}}
@inbook{RayleighBook,
author = {J. W. S. Rayleigh},
date-added = {2020-12-03 21:14:57 +0100},
date-modified = {2020-12-03 21:55:18 +0100},
pages = {115--118},
publisher = {London: Macmillan},
title = {Theory of Sound},
volume = {1},
year = {1894}}
@article{Dirac_1929,
abstract = { The general theory of quantum mechanics is now almost complete, the imperfections that still remain being in connection with the exact fitting in of the theory with relativity ideas. These give rise to difficulties only when high-speed particles are involved, and are therefore of no importance in the consideration of atomic and molecular structure and ordinary chemical reactions, in which it is, indeed, usually sufficiently accurate if one neglects relativity variation of mass with velocity and assumes only Coulomb forces between the various electrons and atomic nuclei. The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. It there fore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation. Already before the arrival of quantum mechanics there existed a theory of atomic structure, based on Bohr's ideas of quantised orbits, which was fairly successful in a wide field. To get agreement with experiment it was found necessary to introduce the spin of the electron, giving a doubling in the number of orbits of an electron in an atom. With the help of this spin and Pauli's exclusion principle, a satisfactory theory of multiplet terms was obtained when one made the additional assumption that the electrons in an atom all set themselves with their spins parallel or antiparallel. If s denoted the magnitude of the resultant spin angular momentum, this s was combined vectorially with the resultant orbital angular momentum l to give a multiplet of multiplicity 2s + 1. The fact that one had to make this additional assumption was, however, a serious disadvantage, as no theoretical reasons to support it could be given. It seemed to show that there were large forces coupling the spin vectors of the electrons in an atom, much larger forces than could be accounted for as due to the interaction of the magnetic moments of the electrons. The position was thus that there was empirical evidence in favour of these large forces, but that their theoretical nature was quite unknown. },
author = {Dirac, Paul Adrien Maurice and Fowler, Ralph Howard},
date-added = {2020-12-03 20:45:34 +0100},
date-modified = {2020-12-03 20:48:01 +0100},
doi = {10.1098/rspa.1929.0094},
journal = {Proc. R. Soc. Lond. A},
number = {792},
pages = {714-733},
title = {Quantum mechanics of many-electron systems},
volume = {123},
year = {1929},
Bdsk-Url-1 = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1929.0094},
Bdsk-Url-2 = {https://doi.org/10.1098/rspa.1929.0094}}
@incollection{Smith_2018,
author = {J.C. Smith and F. Sagredo and K. Burke},
booktitle = {Frontiers of Quantum Chemistry},
date-added = {2020-12-02 21:52:16 +0100},
date-modified = {2020-12-02 21:56:11 +0100},
doi = {10.1007/978-981-10-5651-2_11},
editor = {M. W{\'o}jcik and H. Nakatsuji and B. Kirtman and Y. Ozaki},
publisher = {Springer, Singapore},
title = {Warming Up Density Functional Theory},
Bdsk-Url-1 = {https://doi.org/10.1007/978-981-10-5651-2_11}}
@article{Smith_2016,
author = {Smith, J. C. and {Pribram-Jones}, A. and Burke, K.},
date-added = {2020-12-02 21:49:33 +0100},
date-modified = {2020-12-02 21:49:42 +0100},
doi = {10.1103/PhysRevB.93.245131},
journal = {Phys. Rev. B},
pages = {245131},
title = {Exact Thermal Density Functional Theory for a Model System: {{Correlation}} Components and Accuracy of the Zero-Temperature Exchange-Correlation Approximation},
volume = {93},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.93.245131}}
@article{Shanks_1955,
abstract = {This paper discusses a family of non-linear sequence-to-sequence transformations designated as ek, ekm, {\~e}k, and ed. A brief history of the transforms is related and a simple motivation for the transforms is given. Examples are given of the application of these transformations to divergent and slowly convergent sequences. In particular the examples include numerical series, the power series of rational and meromorphic functions, and a wide variety of sequences drawn from continued fractions, integral equations, geometry, fluid mechanics, and number theory. Theorems are proven which show the effectiveness of the transformations both in accelerating the convergence of (some) slowly convergent sequences and in inducing convergence in (some) divergent sequences. The essential unity of these two motives is stressed. Theorems are proven which show that these transforms often duplicate the results of well-known, but specialized techniques. These special algorithms include Newton's iterative process, Gauss's numerical integration, an identity of Euler, the Pad{\'e} Table, and Thiele's reciprocal differences. Difficulties which sometimes arise in the use of these transforms such as irregularity, non-uniform convergence to the wrong answer, and the ambiguity of multivalued functions are investigated. The concepts of antilimit and of the spectra of sequences are introduced and discussed. The contrast between discrete and continuous spectra and the consequent contrasting response of the corresponding sequences to the e1 transformation is indicated. The characteristic behaviour of a semiconvergent (asymptotic) sequence is elucidated by an analysis of its spectrum into convergent components of large amplitude and divergent components of small amplitude.},
author = {Shanks, Daniel},
date-added = {2020-12-02 20:05:53 +0100},
date-modified = {2020-12-02 21:46:29 +0100},
doi = {https://doi.org/10.1002/sapm19553411},
journal = {J. Math. Phys.},
number = {1-4},
pages = {1-42},
title = {Non-linear Transformations of Divergent and Slowly Convergent Sequences},
volume = {34},
year = {1955},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/sapm19553411},
Bdsk-Url-2 = {https://doi.org/10.1002/sapm19553411}}
@article{DiSabatino_2015,
author = {Di Sabatino,S. and Berger,J. A. and Reining,L. and Romaniello,P.},
date-added = {2020-12-02 16:02:21 +0100},
date-modified = {2020-12-02 16:02:21 +0100},
doi = {10.1063/1.4926327},
journal = {J. Chem. Phys.},
number = {2},
pages = {024108},
title = {Reduced density-matrix functional theory: Correlation and spectroscopy},
volume = {143},
year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4926327}}
@article{Romaniello_2009,
author = {Romaniello, P. and Guyot, S. and Reining, L.},
date-added = {2020-12-02 16:01:08 +0100},
date-modified = {2020-12-02 16:01:18 +0100},
doi = {10.1063/1.3249965},
journal = {J. Chem. Phys.},
pages = {154111},
title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
volume = {131},
year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3249965}}
@article{Tarantino_2017,
author = {Tarantino, Walter and Romaniello, Pina and Berger, J. A. and Reining, Lucia},
date-added = {2020-12-02 16:00:19 +0100},
date-modified = {2020-12-02 16:00:29 +0100},
doi = {10.1103/PhysRevB.96.045124},
journal = {Phys. Rev. B},
pages = {045124},
title = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals: {{An}} Analysis and Illustration on the Example of the {{Hubbard}} Atom},
volume = {96},
year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.96.045124}}
@article{Romaniello_2012,
author = {Romaniello, Pina and Bechstedt, Friedhelm and Reining, Lucia},
date-added = {2020-12-02 15:59:28 +0100},
date-modified = {2020-12-02 15:59:40 +0100},
doi = {10.1103/PhysRevB.85.155131},
journal = {Phys. Rev. B},
pages = {155131},
title = {Beyond the {{GW}} Approximation: {{Combining}} Correlation Channels},
volume = {85},
year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.155131}}
@article{Fromager_2020,
author = {Fromager, Emmanuel},
date-added = {2020-12-02 15:58:21 +0100},
date-modified = {2020-12-02 15:58:33 +0100},
doi = {10.1103/PhysRevLett.124.243001},
journal = {Phys. Rev. Lett.},
pages = {243001},
title = {Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems},
volume = {124},
year = {2020},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.124.243001},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.124.243001}}
@article{Deur_2018,
abstract = {Gross\textendash{}Oliveira\textendash{}Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground- and excitedstate densities. The ensemble energy (i.e. the weighted sum of ground- and excited-state energies) can be obtained variationally as a functional of the ensemble density. Like in DFT, the key ingredient to model in GOK-DFT is the exchange-correlation functional. Developing density-functional approximations (DFAs) for ensembles is a complicated task as both density and weight dependencies should in principle be reproduced. In a recent paper [Phys. Rev. B 95, 035120 (2017)], the authors applied exact GOK-DFT to the simple but nontrivial Hubbard dimer in order to investigate (numerically) the importance of weight dependence in the calculation of excitation energies. In this work, we derive analytical DFAs for various density and correlation regimes by means of a Legendre\textendash{}Fenchel transform formalism. Both functional and density driven errors are evaluated for each DFA. Interestingly, when the ensemble exact-exchange-only functional is used, these errors can be large, in particular if the dimer is symmetric, but they cancel each other so that the excitation energies obtained by linear interpolation are always accurate, even in the strongly correlated regime.},
author = {Deur, Killian and Mazouin, Laurent and Senjean, Bruno and Fromager, Emmanuel},
date-added = {2020-12-02 15:57:26 +0100},
date-modified = {2020-12-02 21:43:28 +0100},
doi = {10.1140/epjb/e2018-90124-7},
journal = {Eur. Phys. J. B},
pages = {162},
title = {Exploring Weight-Dependent Density-Functional Approximations for Ensembles in the {{Hubbard}} Dimer},
volume = {91},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90124-7}}
@article{Sagredo_2018,
author = {Sagredo, Francisca and Burke, Kieron},
date-added = {2020-12-02 15:56:44 +0100},
date-modified = {2020-12-02 15:56:56 +0100},
doi = {10.1063/1.5043411},
journal = {J. Chem. Phys.},
pages = {134103},
title = {Accurate double excitations from ensemble density functional calculations},
volume = {149},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5043411}}
@article{Deur_2017,
author = {Deur, Killian and Mazouin, Laurent and Fromager, Emmanuel},
date-added = {2020-12-02 15:56:14 +0100},
date-modified = {2020-12-02 21:42:49 +0100},
doi = {10.1103/PhysRevB.95.035120},
journal = {Phys. Rev. B},
pages = {95.035120},
title = {Exact Ensemble Density Functional Theory for Excited States in a Model System: {{Investigating}} the Weight Dependence of the Correlation Energy},
volume = {95},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.95.035120}}
@article{Senjean_2018,
author = {Senjean, Bruno and Fromager, Emmanuel},
date-added = {2020-12-02 15:55:29 +0100},
date-modified = {2020-12-02 22:01:59 +0100},
doi = {10.1103/PhysRevA.98.022513},
journal = {Phys. Rev. A},
pages = {98.022513},
title = {Unified Formulation of Fundamental and Optical Gap Problems in Density-Functional Theory for Ensembles},
volume = {98},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.98.022513}}
@article{Blase_2018,
author = {Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
date-added = {2020-12-01 21:12:31 +0100},
date-modified = {2020-12-01 21:12:31 +0100},
doi = {10.1039/C7CS00049A},
journal = {Chem. Soc. Rev.},
pages = {1022-1043},
publisher = {The Royal Society of Chemistry},
title = {The Bethe--Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges},
volume = {47},
year = {2018},
Bdsk-Url-1 = {http://dx.doi.org/10.1039/C7CS00049A}}
@article{Blase_2020,
author = {X. Blase and I. Duchemin and D. Jacquemin and P. F. Loos},
date-added = {2020-12-01 21:12:31 +0100},
date-modified = {2020-12-01 21:12:31 +0100},
doi = {10.1021/acs.jpclett.0c01875},
journal = {J. Phys. Chem. Lett.},
pages = {7371},
title = {The Bethe-Salpeter Formalism: From Physics to Chemistry},
volume = {11},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c01875}}
@article{Ghosh_2018,
author = {Ghosh, Soumen and Verma, Pragya and Cramer, Christopher J. and Gagliardi, Laura and Truhlar, Donald G.},
date-added = {2020-12-01 21:12:15 +0100},
date-modified = {2020-12-01 21:12:15 +0100},
doi = {10.1021/acs.chemrev.8b00193},
journal = {Chem. Rev.},
pages = {7249--7292},
title = {Combining Wave Function Methods with Density Functional Theory for Excited States},
volume = {118},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.chemrev.8b00193}}
@article{Adamo_2013,
author = {Adamo, C. and Jacquemin, D.},
date-added = {2020-12-01 21:11:58 +0100},
date-modified = {2020-12-01 21:15:50 +0100},
doi = {10.1039/C2CS35394F},
journal = {Chem. Soc. Rev.},
pages = {845--856},
title = {The Calculations of Excited-State Properties with Time-Dependent Density Functional Theory},
volume = {42},
year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1039/C2CS35394F}}
@article{Laurent_2013,
author = {Laurent, Ad{\`e}le D. and Jacquemin, Denis},
date-added = {2020-12-01 21:11:49 +0100},
date-modified = {2020-12-01 21:15:13 +0100},
doi = {10.1002/qua.24438},
journal = {Int. J. Quantum Chem.},
pages = {2019--2039},
title = {TD-DFT Benchmarks: A Review},
volume = {113},
year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1002/qua.24438}}
@article{Gonzales_2012,
author = {Gonz{\'a}lez, Leticia and Escudero, D. and Serrano-Andr\`es, L.},
date-added = {2020-12-01 21:11:38 +0100},
date-modified = {2020-12-01 21:11:38 +0100},
doi = {10.1002/cphc.201100200},
journal = {ChemPhysChem},
pages = {28--51},
title = {Progress and Challenges in the Calculation of Electronic Excited States},
volume = {13},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1002/cphc.201100200}}
@article{Sneskov_2012,
abstract = {Abstract We review coupled cluster (CC) theory for electronically excited states. We outline the basics of a CC response theory framework that allows the transfer of the attractive accuracy and convergence properties associated with CC methods over to the calculation of electronic excitation energies and properties. Key factors affecting the accuracy of CC excitation energy calculations are discussed as are some of the key CC models in this field. To aid both the practitioner as well as the developer of CC excited state methods, we also briefly discuss the key computational steps in a working CC response implementation. Approaches aimed at extending the application range of CC excited state methods either in terms of molecular size and phenomena or in terms of environment (solution and proteins) are also discussed. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods},
author = {Sneskov, Kristian and Christiansen, Ove},
date-added = {2020-12-01 21:11:24 +0100},
date-modified = {2020-12-01 21:14:26 +0100},
doi = {https://doi.org/10.1002/wcms.99},
journal = {WIREs Comput. Mol. Sci.},
pages = {566--584},
title = {Excited State Coupled Cluster Methods},
volume = {2},
year = {2012},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
Bdsk-Url-2 = {https://doi.org/10.1002/wcms.99}}
@article{Krylov_2006,
author = {Krylov, Anna I.},
date-added = {2020-12-01 21:10:56 +0100},
date-modified = {2020-12-01 21:14:02 +0100},
doi = {10.1021/ar0402006},
journal = {Acc. Chem. Res.},
pages = {83-91},
title = {Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals},
volume = {39},
year = {2006},
Bdsk-Url-1 = {https://doi.org/10.1021/ar0402006}}
@article{Dreuw_2005,
author = {Dreuw, Andreas and Head-Gordon, Martin},
date-added = {2020-12-01 21:10:39 +0100},
date-modified = {2020-12-01 21:10:39 +0100},
doi = {10.1021/cr0505627},
file = {/Users/loos/Zotero/storage/WKGXAHGE/Dreuw_2005.pdf},
issn = {0009-2665, 1520-6890},
journal = {Chem. Rev.},
language = {en},
pages = {4009--4037},
title = {Single-{{Reference}} Ab {{Initio Methods}} for the {{Calculation}} of {{Excited States}} of {{Large Molecules}}},
volume = {105},
year = {2005},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/cr0505627}}
@article{Piecuch_2002,
author = {Piotr Piecuch and Karol Kowalski and Ian S. O. Pimienta and Michael J. Mcguire},
date-added = {2020-12-01 21:10:26 +0100},
date-modified = {2020-12-01 21:13:27 +0100},
doi = {10.1080/0144235021000053811},
journal = {Int. Rev. Phys. Chem.},
pages = {527-655},
publisher = {Taylor & Francis},
title = {Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches},
volume = {21},
year = {2002},
Bdsk-Url-1 = {https://doi.org/10.1080/0144235021000053811}}
@book{AveryBook,
address = {Dordrecht},
author = {J. Avery},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
publisher = {Kluwer Academic},
title = {Hyperspherical harmonics: applications in quantum theory},
year = {1989}}
@book{CramerBook,
author = {C. J. Cramer},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
keywords = {qmech},
publisher = {Wiley},
title = {Essentials of Computational Chemistry: Theories and Models},
year = {2004}}
@book{FetterBook,
author = {A. L. Fetter and J. D. Waleck},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
publisher = {McGraw Hill, San Francisco},
title = {Quantum Theory of Many Particle Systems},
year = {1971}}
@book{HerzbergBook,
author = {K. P. Huber and G. Herzberg},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
publisher = {van Nostrand Reinhold Company},
title = {Molecular Spectra and Molecular Structure: IV. Constants of diatomic molecules},
year = {1979}}
@book{JensenBook,
address = {New York},
author = {F. Jensen},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
edition = {3rd},
keywords = {qmech},
publisher = {Wiley},
title = {Introduction to Computational Chemistry},
year = {2017}}
@book{NISTbook,
address = {New York},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
editor = {F. W. J. Olver and D. W. Lozier and R. F. Boisvert and C. W. Clark},
keywords = {maths},
publisher = {Cambridge University Press},
title = {NIST Handbook of Mathematical Functions},
year = {2010}}
@book{ParrBook,
address = {Clarendon Press},
author = {R. G. Parr and W. Yang},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
keywords = {dft; qmech},
publisher = {Oxford},
title = {Density-Functional Theory of Atoms and Molecules},
year = {1989}}
@book{ReiningBook,
author = {Martin, R.M. and Reining, L. and Ceperley, D.M.},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
isbn = {0521871506},
publisher = {Cambridge University Press},
title = {Interacting Electrons: Theory and Computational Approaches},
year = {2016}}
@book{Schuck_Book,
author = {P. Ring and P. Schuck},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
publisher = {Springer},
title = {The Nuclear Many-Body Problem},
year = {2004}}
@book{Stefanucci_2013,
abstract = {"The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics"--},
address = {Cambridge},
author = {Stefanucci, Gianluca and van Leeuwen, Robert},
date-added = {2020-12-01 21:06:44 +0100},
date-modified = {2020-12-01 21:06:44 +0100},
isbn = {978-0-521-76617-3},
keywords = {Many-body problem,Quantum theory,Green's functions,Mathematics,SCIENCE / Physics},
lccn = {QC174.17.G68 S74 2013},
publisher = {{Cambridge University Press}},
shorttitle = {Nonequilibrium Many-Body Theory of Quantum Systems},
title = {Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction},
year = {2013}}
@book{HelgakerBook,
author = {T. Helgaker and P. J{\o}rgensen and J. Olsen},
date-added = {2020-12-01 21:06:11 +0100},
date-modified = {2020-12-01 21:06:17 +0100},
owner = {joshua},
publisher = {John Wiley \& Sons, Inc.},
timestamp = {2014.11.24},
title = {Molecular Electronic-Structure Theory},
year = {2013}}
@article{Feenberg_1956,
author = {Feenberg, Eugene},
date-added = {2020-12-01 13:27:51 +0100},
date-modified = {2020-12-01 13:27:57 +0100},
doi = {10.1103/PhysRev.103.1116},
issue = {4},
journal = {Phys. Rev.},
month = {Aug},
numpages = {0},
pages = {1116--1119},
publisher = {American Physical Society},
title = {Invariance Property of the Brillouin-Wigner Perturbation Series},
url = {https://link.aps.org/doi/10.1103/PhysRev.103.1116},
volume = {103},
year = {1956},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.103.1116},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.103.1116}}
@article{Kais_2006,
abstract = {Finite size scaling for calculations of the critical parameters of the few-body Schr{\"o}dinger equation is based on taking the number of elements in a complete basis set as the size of the system. We show in an analogy with Yang and Lee theorem, which states that singularities of the free energy at phase transitions occur only in the thermodynamic limit, that singularities in the ground state energy occur only in the infinite complete basis set limit. To illustrate this analogy in the complex-parameter space, we present calculations for Yukawa type potential, and a Coulomb type potential for two-electron atoms.},
author = {Sabre Kais and Craig Wenger and Qi Wei},
date-added = {2020-11-27 20:54:34 +0100},
date-modified = {2020-11-27 20:55:08 +0100},
doi = {https://doi.org/10.1016/j.cplett.2006.03.035},
journal = {Chem. Phys. Lett.},
pages = {45 - 49},
title = {Quantum criticality at the infinite complete basis set limit: A thermodynamic analog of the Yang and Lee theorem},
volume = {423},
year = {2006},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406003897},
Bdsk-Url-2 = {https://doi.org/10.1016/j.cplett.2006.03.035}}
@article{Goodson_2000b,
author = {Goodson,David Z.},
date-added = {2020-11-27 20:42:57 +0100},
date-modified = {2020-11-27 20:43:12 +0100},
doi = {10.1063/1.1318740},
journal = {J. Chem. Phys.},
pages = {6461-6464},
title = {A summation procedure that improves the accuracy of the fourth-order Mo/ller--Plesset perturbation theory},
volume = {113},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1318740}}
@article{Pavlyukh_2017,
author = {Y. Pavlyukh},
date-added = {2020-11-25 22:26:26 +0100},
date-modified = {2020-11-25 22:26:52 +0100},
doi = {10.1038/s41598-017-00355-w},
journal = {Sci. Rep.},
pages = {504},
title = {Pade resummation of many-body perturbation theory},
volume = {7},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1038/s41598-017-00355-w}}
@article{Tarantino_2019,
author = {Tarantino, Walter and Di Sabatino, Stefano},
date-added = {2020-11-25 22:23:50 +0100},
date-modified = {2020-11-25 22:24:04 +0100},
doi = {10.1103/PhysRevB.99.075149},
journal = {Phys. Rev. B},
pages = {075149},
title = {Diagonal Pad\'e approximant of the one-body Green's function: A study on Hubbard rings},
volume = {99},
year = {2019},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.99.075149},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.99.075149}}
@article{Goodson_2000a,
author = {Goodson,David Z.},
date-added = {2020-11-25 10:05:02 +0100},
date-modified = {2020-11-27 20:42:22 +0100},
doi = {10.1063/1.481044},
journal = {J. Chem. Phys.},
pages = {4901-4909},
title = {Convergent summation of M{\o}ller--Plesset perturbation theory},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481044}}
@article{Loos_2013,
author = {Loos, Pierre-Fran{\c c}ois},
date-added = {2020-11-25 09:34:55 +0100},
date-modified = {2020-11-25 09:35:07 +0100},
doi = {10.1063/1.4790613},
journal = {J. Chem. Phys.},
pages = {064108},
title = {High-Density Correlation Energy Expansion of the One-Dimensional Uniform Electron Gas},
volume = {138},
year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4790613}}
@article{Gluzman_2020,
author = {S. Gluzman},
date-added = {2020-11-25 09:32:54 +0100},
date-modified = {2020-11-25 09:33:54 +0100},
doi = {10.3390/sym12101600},
journal = {Symmetry},
pages = {1600},
title = {Pad\'e and Post-Pad\'e Approximations for Critical Phenomena},
volume = {12},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.3390/sym12101600}}
@incollection{Goodson_2019,
abstract = {The Schr{\"o}dinger equation for an atom or molecule includes parameters, such as bond lengths or nuclear charges, and the resulting energy eigenvalue can be treated as a function with the parameter values as continuous variables. Analysis of singular points of this function, at nonphysical parameter values, can explain and predict the success or failure of quantum chemical calculation methods. An introduction to the theory of singularities in functions of a complex variable is presented and examples of applications to quantum chemistry are described, including the calculation of molecular potential energy curves, the theoretical description of ionization, and the summation of perturbation theories.},
author = {David Z. Goodson},
booktitle = {Mathematical Physics in Theoretical Chemistry},
date-added = {2020-11-25 09:13:38 +0100},
date-modified = {2020-11-25 09:14:27 +0100},
doi = {https://doi.org/10.1016/B978-0-12-813651-5.00009-7},
editor = {S.M. Blinder and J.E. House},
isbn = {978-0-12-813651-5},
keywords = {Singularities, Avoided crossings, Quadratic approximants, Molecular potential energy curves, Ionization, Finite-size scaling, Perturbation theory, Series summation},
pages = {295 - 325},
publisher = {Elsevier},
series = {Developments in Physical {\&} Theoretical Chemistry},
title = {Chapter 9 - Singularity analysis in quantum chemistry},
year = {2019},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/B9780128136515000097},
Bdsk-Url-2 = {https://doi.org/10.1016/B978-0-12-813651-5.00009-7}}
@article{Mayer_1985,
abstract = {The quadratic Pade method-a new method for calculating the local density of states in various physical systems-is introduced and discussed. The method is based upon the use of Hermite-Pade polynomials and it makes the calculation of densities of states a straightforward and relatively simple matter. Its advantages over other methods with similar generality and complexity are outlined and numerical results for various systems, which illustrate the virtues of the new method, are presented and discussed.},
author = {I L Mayer and B Y Tong},
date-added = {2020-11-25 09:01:38 +0100},
date-modified = {2020-11-25 09:03:36 +0100},
doi = {10.1088/0022-3719/18/17/008},
journal = {J. Phys. C.: Solid State Phys.},
pages = {3297--3318},
title = {The quadratic Pade approximant method and its application for calculating densities of states},
volume = {18},
year = 1985,
Bdsk-Url-1 = {https://doi.org/10.1088%2F0022-3719%2F18%2F17%2F008},
Bdsk-Url-2 = {https://doi.org/10.1088/0022-3719/18/17/008}}
@book{BakerBook,
author = {G. A. {Baker Jr.} and P. Graves-Morris},
date-added = {2020-11-25 08:58:42 +0100},
date-modified = {2020-11-25 08:59:33 +0100},
publisher = {Cambridge University Press},
title = {Pad\'e Approximants},
year = {1996}}
@incollection{Pade_1892,
author = {H. Pad\'e},
booktitle = {Annales scientifiques de l'{\'E}.N.S.},
date-added = {2020-11-25 08:48:36 +0100},
date-modified = {2020-11-25 08:56:44 +0100},
editor = {Gauthier-Villars},
pages = {3--93},
publisher = {{\'E}ditions scientifiques et m{\'e}dicales Elsevier},
title = {Sur la repr{\'e}sentation approch{\'e}e d'une fonction par des fractions rationnelles},
volume = {9},
year = {1892}}
@article{Surjan_2000,
author = {Surj{\'a}n,P. R. and Szabados,{\'A}.},
date-added = {2020-11-25 08:29:04 +0100},
date-modified = {2020-11-25 09:15:28 +0100},
doi = {10.1063/1.481006},
journal = {J. Chem. Phys.},
number = {10},
pages = {4438-4446},
title = {Optimized partitioning in perturbation theory: Comparison to related approaches},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481006}}
@article{Tsuchimochi_2019,
author = {Takashi Tsuchimochi and Seiichiro L. Ten-no},
doi = {10.1021/acs.jctc.9b00897},
journal = {J. Chem. Theory Comput.},
pages = {6688},
title = {Second-order perturbation theory with spin-symmetry-projected Hartree--Fock},
volume = {15},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00897}}
@article{Tsuchimochi_2014,
author = {Takashi Tsuchimochi and Troy {Van Voorhis}},
doi = {10.1063/1.4898804},
journal = {J. Chem. Phys.},
pages = {164117},
title = {Extended {M\oller--Plesset} perturbation theory for dynamical and static correlations},
volume = {141},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4898804}}
@article{Knowles_1988a,
author = {Peter J. Knowles and Nicholas C. Handy},
doi = {10.1021/j100322a018},
journal = {J. Phys. Chem.},
pages = {3097},
title = {Convergence of projected unrestricted {Hartree--Fock M\oller--Plesset} series},
volume = {92},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1021/j100322a018}}
@article{Knowles_1988b,
author = {Peter J. Knowles and Nicholas C. Handy},
doi = {10.1063/1.454397},
journal = {J. Chem. Phys.},
pages = {6991},
title = {Projected unrestricted {M\oller--Plesset} second-order energies},
volume = {88},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1063/1.454397}}
@article{Schlegel_1986,
author = {H. Bernhard Schlegel},
doi = {10.1063/1.450026},
journal = {J. Chem. Phys.},
pages = {4530},
title = {Potential energy curves using unrestricted {M\oller--Plesset} perturbation theory with spin annihilation},
volume = {84},
year = {1986},
Bdsk-Url-1 = {https://doi.org/10.1063/1.450026}}
@article{Schlegel_1988,
author = {H. Bernhard Schlegel},
doi = {10.1021/j100322a014},
journal = {J. Phys. Chem.},
pages = {3075},
title = {{M\oller--Plesset} perturbation theory with spin projection},
volume = {91},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1021/j100322a014}}
@article{Gill_1988a,
author = {P. M. W. Gill and M. W. Wong and R. H. Nobes and L. Radom},
doi = {10.1016/0009-2614(88)80328-2},
journal = {Chem. Phys. Lett.},
pages = {541},
title = {How well can {RMP4} theory treat homolytic fragmentations?},
volume = {148},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(88)80328-2}}
@article{Nobes_1987,
author = {R. H. Nobes and J. A. Pople and L. Radom and N. C. Handy and P. J. Knowles},
doi = {10.1016/0009-2614(87)80545-6},
journal = {Chem. Phys. Lett.},
pages = {481},
title = {Slow convergence of the {M\oller--Plesset} perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical},
volume = {138},
year = {1987},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(87)80545-6}}
@article{Laidig_1987,
author = {William D. Laidig and Paul Saxe and Rodney J. Bartlett},
doi = {10.1063/1.452291},
journal = {J. Chem. Phys.},
pages = {887},
title = {The description of \ce{N2} and \ce{F2} potential energy surfaces using multireference coupled cluster theory},
volume = {86},
year = {1987},
Bdsk-Url-1 = {https://doi.org/10.1063/1.452291}}
@article{Bartlett_1975,
author = {R. J. Bartlett and D. M. Silver},
doi = {10.1063/1.430878},
journal = {J. Chem. Phys.},
pages = {3258},
title = {Many-body perturbation theory applied to electron pair correlation energies. I. Closed-shell first-row diatomic hydrides},
volume = {62},
year = {1975},
Bdsk-Url-1 = {https://doi.org/10.1063/1.430878}}
@article{Krishnan_1980,
author = {R. Krishnan and M. J. Frisch and J. A. Pople},
doi = {10.1063/1.439657},
journal = {J. Chem. Phys.},
pages = {4244},
title = {Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory},
volume = {72},
year = {1980},
Bdsk-Url-1 = {https://doi.org/10.1063/1.439657}}
@article{Pople_1978,
author = {J. A. Pople and R. Krishnan and H. B. Schlegel and J. S. Binkley},
doi = {10.1002/qua.560140503},
journal = {Int. J. Quantum Chem.},
pages = {545},
title = {Electron correlation theories and their application to the study of simple reaction potential surfaces},
volume = {14},
year = {1978},
Bdsk-Url-1 = {https://doi.org/10.1002/qua.560140503}}
@article{Pople_1976,
author = {John A. Pople and Stephen Binkley and Rolf Seeger},
doi = {10.1002/qua.560100802},
journal = {Int. J. Quantum Chem. Symp.},
pages = {1},
title = {Theoretical models incorporating electron correlation},
volume = {10},
year = {1976},
Bdsk-Url-1 = {https://doi.org/10.1002/qua.560100802}}
@article{Knowles_1985,
author = {P. J. Knowles and K. Somasundram and N. C. Handy and K. Hirao},
doi = {10.1016/0009-2614(85)85002-8},
journal = {Chem. Phys. Lett.},
pages = {8},
title = {The Calculation of High-Order Energies in the Many-Body Perturbation Theory Series},
volume = {113},
year = {1985},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(85)85002-8}}
@article{Laidig_1985,
author = {William D. Laidig and George Fitzgerald and Rodney J. Bartlett},
doi = {10.1016/0009-2614(85)80934-9},
journal = {Chem. Phys. Lett.},
pages = {151},
title = {Is Fifth-Order MBPT Enough?},
volume = {113},
year = {1985},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(85)80934-9}}
@article{Hall_1951,
abstract = { An analysis of the `linear combination of atomic orbitals' approximation using the accurate molecular orbital equations shows that it does not lead to equations of the form usually assumed in the semi-empirical molecular orbital method. A new semi-empirical method is proposed, therefore, in terms of equivalent orbitals. The equations obtained, which do have the usual form, are applicable to a large class of molecules and do not involve the approximations that were thought necessary. In this method the ionization potentials are calculated by treating certain integrals as semi-empirical parameters. The value of these parameters is discussed in terms of the localization of equivalent orbitals and some approximate rules are suggested. As an illustration the ionization potentials of the paraffin series are considered and good agreement between the observed and calculated values is found. },
author = {Hall, G. G. and Lennard-Jones, John Edward},
date-added = {2020-11-24 09:45:15 +0100},
date-modified = {2020-11-24 09:45:50 +0100},
doi = {10.1098/rspa.1951.0048},
journal = {Proc. R. Soc. Lond. A},
pages = {541-552},
title = {The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials},
volume = {205},
year = {1951},
Bdsk-Url-1 = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1951.0048},
Bdsk-Url-2 = {https://doi.org/10.1098/rspa.1951.0048}}
@article{Roothaan_1951,
author = {Roothaan, C. C. J.},
date-added = {2020-11-24 09:43:57 +0100},
date-modified = {2020-11-24 09:44:09 +0100},
doi = {10.1103/RevModPhys.23.69},
journal = {Rev. Mod. Phys.},
pages = {69--89},
title = {New Developments in Molecular Orbital Theory},
volume = {23},
year = {1951},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.23.69},
Bdsk-Url-2 = {https://doi.org/10.1103/RevModPhys.23.69}}
@article{Slater_1951,
author = {Slater, J. C.},
date-added = {2020-11-24 09:42:40 +0100},
date-modified = {2020-11-24 09:42:58 +0100},
doi = {10.1103/PhysRev.82.538},
journal = {Phys. Rev.},
pages = {538--541},
title = {Magnetic Effects and the Hartree-Fock Equation},
volume = {82},
year = {1951},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.82.538},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.82.538}}
@article{Loos_2019d,
author = {P. F. Loos and B. Pradines and A. Scemama and J. Toulouse and E. Giner},
date-added = {2020-11-23 11:07:32 +0100},
date-modified = {2020-11-23 11:07:32 +0100},
doi = {10.1021/acs.jpclett.9b01176},
journal = {J. Phys. Chem. Lett.},
pages = {2931--2937},
title = {A Density-Based Basis-Set Correction for Wave Function Theory},
volume = {10},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01103}}
@article{Giner_2019,
author = {E. Giner and A. Scemama and J. Toulouse and P. F. Loos},
date-added = {2020-11-23 11:04:23 +0100},
date-modified = {2020-11-23 11:04:23 +0100},
journal = {J. Chem. Phys.},
pages = {144118},
title = {Chemically Accurate Excitation Energies With Small Basis Sets},
volume = {151},
year = {2019}}
@article{Loos_2020a,
author = {P. F. Loos and A. Scemama and D. Jacquemin},
date-added = {2020-11-23 11:00:35 +0100},
date-modified = {2020-11-23 11:00:35 +0100},
doi = {10.1021/acs.jpclett.0c00014},
journal = {J. Phys. Chem. Lett.},
pages = {2374--2383},
title = {The Quest for Highly-Accurate Excitation Energies: a Computational Perspective},
volume = {11},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c00014}}
@article{Loos_2018a,
author = {P. F. Loos and A. Scemama and A. Blondel and Y. Garniron and M. Caffarel and D. Jacquemin},
date-added = {2020-11-23 10:59:57 +0100},
date-modified = {2020-11-23 10:59:57 +0100},
doi = {10.1021/acs.jctc.8b00406},
journal = {J. Chem. Theory Comput.},
pages = {4360},
title = {A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks},
volume = {14},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}}
@article{Jimenez-Hoyos_2011,
author = {Carlos A. {Jim\'{e}nez-Hoyos} and T. M. Henderson and G. E. Scuseria},
date-added = {2020-11-22 23:08:04 +0100},
date-modified = {2020-11-22 23:08:04 +0100},
doi = {10.1021/ct200345a},
journal = {J. Chem. Theory Comput.},
pages = {2667},
title = {Generalized Hartree--Fock Description of Molecular Dissociation},
volume = {7},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1021/ct200345a}}
@inbook{StuberPaldus,
address = {Dordrecht},
author = {Stuber, J and Paldus, J},
booktitle = {Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov L\"{o}wdin},
date-added = {2020-11-22 23:07:04 +0100},
date-modified = {2020-11-22 23:07:04 +0100},
editor = {Br\"{a}ndas, E J and Kryachko, E S},
pages = {67},
publisher = {Kluwer Academic},
title = {{Symmetry Breaking in the Independent Particle Model}},
volume = {1},
year = {2003}}
@misc{Cejnar_2020,
archiveprefix = {arXiv},
author = {Pavel Cejnar and Pavel Str{\'a}nsk{\'y} and Michal Macek and Michal Kloc},
date-added = {2020-11-20 09:33:29 +0100},
date-modified = {2020-11-20 09:33:35 +0100},
eprint = {2011.01662},
primaryclass = {quant-ph},
title = {Excited-state quantum phase transitions},
year = {2020}}
@book{GilmoreBook,
author = {Gilmore, R.},
date-added = {2020-11-20 09:31:27 +0100},
date-modified = {2020-11-20 09:31:51 +0100},
publisher = {New York, Wiley},
title = {Catastrophe Theory for Scientists and Engineers},
year = {1981}}
@book{SachdevBook,
author = {Sachdev, S.},
date-added = {2020-11-20 09:30:52 +0100},
date-modified = {2020-11-20 09:31:18 +0100},
publisher = {Cambridge University Press},
title = {Quantum Phase Transitions},
year = {1999}}
@article{Vojta_2003,
abstract = {In recent years, quantum phase transitions have attracted the interest of both theorists and experimentalists in condensed matter physics. These transitions, which are accessed at zero temperature by variation of a non-thermal control parameter, can influence the behaviour of electronic systems over a wide range of the phase diagram. Quantum phase transitions occur as a result of competing ground state phases. The cuprate superconductors which can be tuned from a Mott insulating to a d-wave superconducting phase by carrier doping are a paradigmatic example. This review introduces important concepts of phase transitions and discusses the interplay of quantum and classical fluctuations near criticality. The main part of the article is devoted to bulk quantum phase transitions in condensed matter systems. Several classes of transitions will be briefly reviewed, pointing out, e.g., conceptual differences between ordering transitions in metallic and insulating systems. An interesting separate class of transitions is boundary phase transitions where only degrees of freedom of a subsystem become critical; this will be illustrated in a few examples. The article is aimed at bridging the gap between high-level theoretical presentations and research papers specialized in certain classes of materials. It will give an overview on a variety of different quantum transitions, critically discuss open theoretical questions, and frequently make contact with recent experiments in condensed matter physics.},
author = {Matthias Vojta},
date-added = {2020-11-20 09:27:07 +0100},
date-modified = {2020-11-20 09:27:27 +0100},
doi = {10.1088/0034-4885/66/12/r01},
journal = {Rep. Prog. Phys.},
number = {12},
pages = {2069--2110},
publisher = {{IOP} Publishing},
title = {Quantum phase transitions},
volume = {66},
year = 2003,
Bdsk-Url-1 = {https://doi.org/10.1088%2F0034-4885%2F66%2F12%2Fr01},
Bdsk-Url-2 = {https://doi.org/10.1088/0034-4885/66/12/r01}}
@book{CarrBook,
date-added = {2020-11-20 09:24:47 +0100},
date-modified = {2020-11-20 09:25:39 +0100},
doi = {10.1201/b10273},
editor = {Carr, L.},
publisher = {Boca Raton: CRC Press},
title = {Understanding Quantum Phase Transitions},
year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1201/b10273}}
@article{Ernzerhof_2006,
author = {M. Ernzerhof},
date-added = {2020-11-20 09:13:17 +0100},
date-modified = {2020-11-20 09:13:17 +0100},
doi = {10.1063/1.2348880},
journal = {J. Chem. Phys.},
pages = {124104},
title = {Density functional theory of complex transition densities},
volume = {125},
year = {2006},
Bdsk-Url-1 = {https://doi.org/10.1063/1.2348880}}
@article{Coulson_1949,
author = {Prof. C.A. Coulson and Miss I. Fischer},
date-added = {2020-11-20 09:12:25 +0100},
date-modified = {2020-11-20 09:18:50 +0100},
doi = {10.1080/14786444908521726},
journal = {London, Edinburgh Dublin Philos. Mag. J. Sci.},
number = {303},
pages = {386-393},
publisher = {Taylor & Francis},
title = {XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule},
volume = {40},
year = {1949},
Bdsk-Url-1 = {https://doi.org/10.1080/14786444908521726}}
@article{Riss_1993,
author = {U. V. Riss and H.-D. Meyer},
date-added = {2020-11-20 09:11:19 +0100},
date-modified = {2020-11-20 09:11:19 +0100},
journal = {J. Phys. B},
pages = {4503},
title = {{Calculation of resonance energies and widths using the complex absorbing potential method.}},
volume = {26},
year = {1993}}
@article{Moiseyev_1998,
author = {Nimrod Moiseyev},
date-added = {2020-11-20 09:11:08 +0100},
date-modified = {2020-11-20 09:11:08 +0100},
journal = {Phys. Rep.},
pages = {211},
title = {{Quantum theory of resonances: calculating energies, widths and cross-sections by complex scaling}},
volume = {302},
year = {1998}}
@article{Taut_1993,
author = {M. Taut},
date-added = {2020-11-19 22:57:50 +0100},
date-modified = {2020-11-19 22:58:27 +0100},
doi = {10.1103/PhysRevA.48.3561},
journal = {Phys. Rev. A},
pages = {3561},
title = {Two electrons in an external oscillator potential: Particular analytic solutions of a Coulomb correlation problem},
volume = {48},
year = {1993},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.48.3561}}
@article{Loos_2012,
author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
date-added = {2020-11-19 22:55:26 +0100},
date-modified = {2020-11-19 22:55:26 +0100},
doi = {10.1103/PhysRevLett.108.083002},
file = {/Users/loos/Zotero/storage/D5YVLEB5/34.pdf},
issn = {0031-9007, 1079-7114},
journal = {Phys. Rev. Lett.},
language = {en},
month = feb,
number = {8},
pages = {083002},
title = {Exact {{Wave Functions}} of {{Two}}-{{Electron Quantum Rings}}},
volume = {108},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.108.083002}}
@article{Loos_2010e,
author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
date-added = {2020-11-19 22:55:21 +0100},
date-modified = {2020-11-19 22:55:21 +0100},
doi = {10.1080/00268976.2010.508472},
file = {/Users/loos/Zotero/storage/TLWJZ3HQ/25.pdf},
issn = {0026-8976, 1362-3028},
journal = {Mol. Phys.},
language = {en},
month = oct,
number = {19-20},
pages = {2527-2532},
title = {Excited States of Spherium},
volume = {108},
year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2010.508472}}
@article{Lowdin_1955b,
author = {L\"owdin, Per-Olov},
date-added = {2020-11-19 21:05:53 +0100},
date-modified = {2020-11-19 21:05:59 +0100},
doi = {10.1103/PhysRev.97.1490},
issue = {6},
journal = {Phys. Rev.},
month = {Mar},
numpages = {0},
pages = {1490--1508},
publisher = {American Physical Society},
title = {Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock Approximation},
url = {https://link.aps.org/doi/10.1103/PhysRev.97.1490},
volume = {97},
year = {1955},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.97.1490},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.97.1490}}
@article{Lowdin_1955c,
author = {L\"owdin, Per-Olov},
date-added = {2020-11-19 21:05:01 +0100},
date-modified = {2020-11-19 21:05:15 +0100},
doi = {10.1103/PhysRev.97.1509},
issue = {6},
journal = {Phys. Rev.},
month = {Mar},
numpages = {0},
pages = {1509--1520},
publisher = {American Physical Society},
title = {Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects},
url = {https://link.aps.org/doi/10.1103/PhysRev.97.1509},
volume = {97},
year = {1955},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.97.1509},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.97.1509}}
@article{Lowdin_1955a,
author = {L\"owdin, Per-Olov},
date-added = {2020-11-19 21:04:31 +0100},
date-modified = {2020-11-19 21:07:07 +0100},
doi = {10.1103/PhysRev.97.1474},
issue = {6},
journal = {Phys. Rev.},
month = {Mar},
numpages = {0},
pages = {1474--1489},
publisher = {American Physical Society},
title = {Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction},
url = {https://link.aps.org/doi/10.1103/PhysRev.97.1474},
volume = {97},
year = {1955},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.97.1474},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.97.1474}}
@article{Mayer_1993,
abstract = {A study is made of the general Hartree---Fock (GHF) method, in which the basic spin-orbitals may be mixtures of functions having α and β spins. The existence of the solutions to the GHF equations has been proven by Lieb and Simon, and the nature of the various types of solutions has been group theoretically classified by Fukutome. Some numerical applications using Gaussian bases are carried out for some simple systems: the beryllium and carbon atoms and the BH molecule. Some GHF solutions of the general Fukutome-type ``torsional spin density waves'' (TSDW) were found.},
author = {Istv{\'a}n Mayer and Per-Olov L{\"o}wdin},
date-added = {2020-11-19 09:09:18 +0100},
date-modified = {2020-11-19 09:09:26 +0100},
doi = {https://doi.org/10.1016/0009-2614(93)85341-K},
issn = {0009-2614},
journal = {Chemical Physics Letters},
number = {1},
pages = {1 - 6},
title = {Some comments on the general Hartree---Fock method},
url = {http://www.sciencedirect.com/science/article/pii/000926149385341K},
volume = {202},
year = {1993},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149385341K},
Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(93)85341-K}}
@article{Zhang_2004,
author = {Zhang, Fan and Burke, Kieron},
date-added = {2020-11-18 21:23:02 +0100},
date-modified = {2020-11-18 21:23:02 +0100},
doi = {10.1103/PhysRevA.69.052510},
journal = {Phys. Rev. A},
pages = {052510},
title = {Adiabatic connection for near degenerate excited states},
volume = {69},
year = {2004},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.69.052510},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.69.052510}}
@article{Gunnarsson_1976,
author = {Gunnarsson, O. and Lundqvist, B. I.},
date-added = {2020-11-18 21:22:53 +0100},
date-modified = {2020-11-18 21:22:53 +0100},
doi = {10.1103/PhysRevB.13.4274},
issue = {10},
journal = {Phys. Rev. B},
month = {May},
numpages = {0},
pages = {4274--4298},
publisher = {American Physical Society},
title = {Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism},
url = {https://link.aps.org/doi/10.1103/PhysRevB.13.4274},
volume = {13},
year = {1976},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.13.4274},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.13.4274}}
@article{Langreth_1975,
author = {D.C. Langreth and J.P. Perdew},
date-added = {2020-11-18 21:22:40 +0100},
date-modified = {2020-11-18 21:22:40 +0100},
doi = {https://doi.org/10.1016/0038-1098(79)90254-0},
issn = {0038-1098},
journal = {Solid State Commun.},
number = {8},
pages = {567 - 571},
title = {The gradient approximation to the exchange-correlation energy functional: A generalization that works},
url = {http://www.sciencedirect.com/science/article/pii/0038109879902540},
volume = {31},
year = {1979},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0038109879902540},
Bdsk-Url-2 = {https://doi.org/10.1016/0038-1098(79)90254-0}}
@article{Shea_2018,
author = {J. A. R. Shea and E. Neuscamman},
date-added = {2020-11-18 21:17:15 +0100},
date-modified = {2020-11-18 21:17:15 +0100},
doi = {10.1063/1.5045056},
journal = {J. Chem. Phys.},
pages = {081101},
title = {A mean field platform for excited state quantum chemistry},
volume = {149},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5045056}}
@article{Shea_2017,
author = {Shea, Jacqueline A. R. and Neuscamman, Eric},
date-added = {2020-11-18 21:17:15 +0100},
date-modified = {2020-11-18 21:17:15 +0100},
doi = {10.1021/acs.jctc.7b00923},
issn = {1549-9618, 1549-9626},
journal = {J. Chem. Theory Comput.},
month = dec,
number = {12},
pages = {6078-6088},
title = {Size {{Consistent Excited States}} via {{Algorithmic Transformations}} between {{Variational Principles}}},
volume = {13},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00923}}
@article{Thom_2008,
author = {Thom, Alex J. W. and {Head-Gordon}, Martin},
date-added = {2020-11-18 21:17:05 +0100},
date-modified = {2020-11-18 21:17:05 +0100},
doi = {10.1103/PhysRevLett.101.193001},
file = {/Users/loos/Zotero/storage/HVKYKGQU/Thom and Head-Gordon - 2008 - Locating Multiple Self-Consistent Field Solutions.pdf},
issn = {0031-9007, 1079-7114},
journal = {Phys. Rev. Lett.},
month = nov,
number = {19},
pages = {193001},
shorttitle = {Locating {{Multiple Self}}-{{Consistent Field Solutions}}},
title = {Locating {{Multiple Self}}-{{Consistent Field Solutions}}: {{An Approach Inspired}} by {{Metadynamics}}},
volume = {101},
year = {2008},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.101.193001}}
@article{Gilbert_2008,
author = {A. T. B. Gilbert and N. A. Besley and P. M. W. Gill},
date-added = {2020-11-18 21:16:52 +0100},
date-modified = {2020-11-18 21:16:52 +0100},
doi = {10.1021/jp801738f},
journal = {J. Phys. Chem. A},
pages = {13164},
title = {Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method {(MOM)}},
volume = {112},
year = {2008},
Bdsk-Url-1 = {https://doi.org/10.1021/jp801738f}}
@article{Burton_2018,
abstract = {We explore the existence and behavior of holomorphic restricted Hartree-Fock (h-RHF) solutions for two-electron problems. Through algebraic geometry, the exact number of solutions with n basis functions is rigorously identified as 1/2(3n - 1), proving that states must exist for all molecular geometries. A detailed study on the h-RHF states of HZ (STO3G) then demonstrates both the conservation of holomorphic solutions as geometry or atomic charges are varied and the emergence of complex h-RHF solutions at coalescence points. Using catastrophe theory, the nature of these coalescence points is described, highlighting the influence of molecular symmetry. The h-RHF states of HHeH2+ and HHeH (STO-3G) are then compared, illustrating the isomorphism between systems with two electrons and two electron holes. Finally, we explore the h-RHF states of ethene (STO-3G) by considering the $\pi$ electrons as a two-electron problem and employ NOCI to identify a crossing of the lowest energy singlet and triplet states at the perpendicular geometry.},
author = {Burton, Hugh G. A. and Gross, Mark and Thom, Alex J. W.},
date-added = {2020-11-18 21:16:36 +0100},
date-modified = {2020-11-18 21:16:36 +0100},
doi = {10.1021/acs.jctc.7b00980},
file = {/Users/loos/Zotero/storage/E9FNMAU8/Burton et al. - 2018 - Holomorphic Hartree--Fock Theory The Nature of Two.pdf},
issn = {1549-9618, 1549-9626},
journal = {J. Chem. Theory Comput.},
month = feb,
number = {2},
pages = {607-618},
shorttitle = {Holomorphic {{Hartree}}\textendash{{Fock Theory}}},
title = {Holomorphic {{Hartree}}\textendash{{Fock Theory}}: {{The Nature}} of {{Two}}-{{Electron Problems}}},
volume = {14},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00980}}
@article{Burton_2016,
author = {H. G. A. Burton and A. J. W. Thom},
date-added = {2020-11-18 21:16:36 +0100},
date-modified = {2020-11-18 21:16:36 +0100},
doi = {10.1021/acs.jctc.5b01005},
journal = {J. Chem. Theory Comput.},
pages = {167},
title = {Holomorphic {Hartree--Fock} Theory: An Inherently Multireference Approach},
volume = {12},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b01005}}
@article{Carrascal_2015,
abstract = {This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in this elementary example, where the exact ground-state energy and site occupations can be found analytically, there is much to be explained in terms of the underlying logic and aims of density functional theory. Although the usual solution is analytic, the density functional is given only implicitly. We overcome this difficulty using the Levy\textendash{}Lieb construction to create a parametrization of the exact function with negligible errors. The symmetric case is most commonly studied, but we find a rich variation in behavior by including asymmetry, as strong correlation physics vies with charge-transfer effects. We explore the behavior of the gap and the many-body Green's function, demonstrating the `failure' of the Kohn\textendash{}Sham (KS) method to reproduce the fundamental gap. We perform benchmark calculations of the occupation and components of the KS potentials, the correlation kinetic energies, and the adiabatic connection. We test several approximate functionals (restricted and unrestricted Hartree\textendash{}Fock and Bethe ansatz local density approximation) to show their successes and limitations. We also discuss and illustrate the concept of the derivative discontinuity. Useful appendices include analytic expressions for density functional energy components, several limits of the exact functional (weak- and strong-coupling, symmetric and asymmetric), various adiabatic connection results, proofs of exact conditions for this model, and the origin of the Hubbard model from a minimal basis model for stretched H2.},
author = {Carrascal, D J and Ferrer, J and Smith, J C and Burke, K},
date-added = {2020-11-14 21:44:15 +0100},
date-modified = {2020-11-14 21:44:15 +0100},
doi = {10.1088/0953-8984/27/39/393001},
file = {/Users/loos/Zotero/storage/LRMWNYEQ/Carrascal et al. - 2015 - The Hubbard dimer a density functional case study.pdf},
issn = {0953-8984, 1361-648X},
journal = {J. Phys. Condens. Matter},
language = {en},
month = oct,
number = {39},
pages = {393001},
shorttitle = {The {{Hubbard}} Dimer},
title = {The {{Hubbard}} Dimer: A Density Functional Case Study of a Many-Body Problem},
volume = {27},
year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1088/0953-8984/27/39/393001}}
@article{Carrascal_2018,
abstract = {The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequencydependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the adiabatic approximation utilizing the exact ground-state functional are shown. The oscillator strength sum rule is proven for lattice Hamiltonians, and relative oscillator strengths are defined appropriately. The method of Casida for extracting oscillator strengths from a frequencydependent kernel is demonstrated to yield the exact result with this kernel. An unambiguous way of labelling the nature of excitations is given. The fluctuation-dissipation theorem is proven for the groundstate exchange-correlation energy. The distinction between weak and strong correlation is shown to depend on the ratio of interaction to asymmetry. A simple interpolation between carefully defined weak-correlation and strong-correlation regimes yields a density-functional approximation for the kernel that gives accurate transition frequencies for both the single and double excitations, including charge-transfer excitations. Many exact results, limits, and expansions about those limits are given in the Appendices.},
author = {Carrascal, Diego J. and Ferrer, Jaime and Maitra, Neepa and Burke, Kieron},
date-added = {2020-11-14 21:44:15 +0100},
date-modified = {2020-11-14 21:44:15 +0100},
doi = {10.1140/epjb/e2018-90114-9},
journal = {Eur. Phys. J. B},
pages = {142},
title = {Linear Response Time-Dependent Density Functional Theory of the {{Hubbard}} Dimer},
volume = {91},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90114-9}}
@article{Surjan_2018,
author = {Surj{\'a}n,P{\'e}ter R. and Mih{\'a}lka,Zsuzsanna {\'E}. and Szabados,{\'A}gnes},
date-added = {2020-11-12 16:40:48 +0100},
date-modified = {2020-11-12 16:42:07 +0100},
doi = {10.1007/s00214-018-2372-3},
journal = {Theor. Chem. Acc.},
pages = {149},
title = {The inverse boundary value problem: application in many-body perturbation theory},
volume = {137},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5083191}}
@article{Pawlowski_2019a,
author = {Paw{\l}owski,Filip and Olsen,Jeppe and J{\o}rgensen,Poul},
date-added = {2020-11-12 15:24:23 +0100},
date-modified = {2020-11-12 15:33:57 +0100},
doi = {10.1063/1.5004037},
journal = {J. Chem. Phys.},
number = {13},
pages = {134108},
title = {Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5004037}}
@article{Pawlowski_2019e,
author = {Paw{\l}owski,Filip and Olsen,Jeppe and J{\o}rgensen,Poul},
date-added = {2020-11-12 15:24:15 +0100},
date-modified = {2020-11-12 15:33:38 +0100},
doi = {10.1063/1.5053627},
journal = {J. Chem. Phys.},
number = {13},
pages = {134112},
title = {Cluster perturbation theory. V. Theoretical foundation for cluster linear target states},
url = {https://doi.org/10.1063/1.5053627},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5053627}}
@article{Pawlowski_2019d,
author = {Paw{\l}owski,Filip and Olsen,Jeppe and J{\o}rgensen,Poul},
date-added = {2020-11-12 15:24:12 +0100},
date-modified = {2020-11-12 15:33:46 +0100},
doi = {10.1063/1.5053622},
journal = {J. Chem. Phys.},
number = {13},
pages = {134111},
title = {Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5053622}}
@article{Pawlowski_2019c,
author = {Baudin,Pablo and Paw{\l}owski,Filip and Bykov,Dmytro and Liakh,Dmitry and Kristensen,Kasper and Olsen,Jeppe and J{\o}rgensen,Poul},
date-added = {2020-11-12 15:24:07 +0100},
date-modified = {2020-11-12 15:33:50 +0100},
doi = {10.1063/1.5046935},
journal = {J. Chem. Phys.},
number = {13},
pages = {134110},
title = {Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5046935}}
@article{Pawlowski_2019b,
author = {Paw{\l}owski,Filip and Olsen,Jeppe and J{\o}rgensen,Poul},
date-added = {2020-11-12 15:24:02 +0100},
date-modified = {2020-11-12 15:33:53 +0100},
doi = {10.1063/1.5053167},
journal = {J. Chem. Phys.},
number = {13},
pages = {134109},
title = {Cluster perturbation theory. II. Excitation energies for a coupled cluster target state},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5053167}}
@article{Leininger_2000,
author = {Leininger,Matthew L. and Allen,Wesley D. and Schaefer,Henry F. and Sherrill,C. David},
date-added = {2020-11-12 14:50:57 +0100},
date-modified = {2020-11-20 09:16:16 +0100},
doi = {10.1063/1.481764},
journal = {J. Chem. Phys.},
number = {21},
pages = {9213-9222},
title = {Is Mo/ller--Plesset perturbation theory a convergent ab initio method?},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481764}}
@article{Nesbet_1955,
abstract = { A systematic method is developed for estimating or calculating corrections for configuration interaction in atomic, molecular and nuclear wave-function calculations. Solutions of the Hartree-Fock equations for a single Slater determinant or approximate Hartree-Fock solutions obtained by Roothaan's iterative procedure have special properties which are used to simplify the matrix of the many-particle Hamiltonian. A restricted self-consistent field method is proposed for treating states of low symmetry. This method avoids the off-diagonal Lagrange multipliers encountered in previous methods and is adapted to configuration interaction calculations. },
author = {Nesbet, R. K. and Hartree, Douglas Rayner},
date-added = {2020-11-12 10:01:40 +0100},
date-modified = {2020-11-12 10:02:40 +0100},
doi = {10.1098/rspa.1955.0134},
journal = {Proc. R. Soc. Lond. A},
number = {1182},
pages = {312-321},
title = {Configuration interaction in orbital theories},
volume = {230},
year = {1955},
Bdsk-Url-1 = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1955.0134},
Bdsk-Url-2 = {https://doi.org/10.1098/rspa.1955.0134}}
@article{Epstein_1926,
author = {Epstein, Paul S.},
date-added = {2020-11-12 10:00:50 +0100},
date-modified = {2020-11-12 10:01:10 +0100},
doi = {10.1103/PhysRev.28.695},
issue = {4},
journal = {Phys. Rev.},
month = {Oct},
numpages = {0},
pages = {695--710},
publisher = {American Physical Society},
title = {The Stark Effect from the Point of View of Schroedinger's Quantum Theory},
url = {https://link.aps.org/doi/10.1103/PhysRev.28.695},
volume = {28},
year = {1926},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.28.695},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.28.695}}
@article{Gill_1994,
author = {P. M. W. Gill},
date-added = {2020-11-12 09:57:40 +0100},
date-modified = {2020-11-12 09:57:40 +0100},
doi = {10.1016/S0065-3276(08)60019-2},
journal = {Adv. Quantum Chem.},
pages = {141--205},
title = {Molecular Integrals Over Gaussian Basis Functions},
volume = {25},
year = {1994},
Bdsk-Url-1 = {https://doi.org/10.1016/S0065-3276(08)60019-2}}
@article{Mihalka_2017b,
author = {Mih{\'a}lka,Zsuzsanna {\'E}. and Szabados,{\'A}gnes and Surj{\'a}n,P{\'e}ter R.},
date-added = {2020-11-12 09:31:14 +0100},
date-modified = {2020-11-12 09:33:15 +0100},
doi = {10.1063/1.4978898},
journal = {J. Chem. Phys.},
number = {12},
pages = {124121},
title = {Effect of partitioning on the convergence properties of the Rayleigh-Schr{\"o}dinger perturbation series},
volume = {146},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4978898}}
@article{Mihalka_2019,
author = {Mih{\'a}lka,Zsuzsanna {\'E}. and Szabados,{\'A}gnes and Surj{\'a}n,P{\'e}ter R.},
date-added = {2020-11-12 09:29:42 +0100},
date-modified = {2020-11-12 09:33:07 +0100},
doi = {10.1063/1.5083191},
journal = {J. Chem. Phys.},
number = {3},
pages = {031101},
title = {Application of the Cauchy integral formula as a tool of analytic continuation for the resummation of divergent perturbation series},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5083191}}
@article{Mihalka_2017a,
author = {Mih\'alka, Zsuzsanna \'E. and Surj\'an, P\'eter R.},
date-added = {2020-11-12 09:28:43 +0100},
date-modified = {2020-11-12 09:30:45 +0100},
doi = {10.1103/PhysRevA.96.062106},
issue = {6},
journal = {Phys. Rev. A},
month = {Dec},
numpages = {5},
pages = {062106},
publisher = {American Physical Society},
title = {Analytic-continuation approach to the resummation of divergent series in Rayleigh-Schr\"odinger perturbation theory},
url = {https://link.aps.org/doi/10.1103/PhysRevA.96.062106},
volume = {96},
year = {2017},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.96.062106},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevA.96.062106}}
@article{Berry_2011,
abstract = {For non-Hermitian Hamiltonians with an isolated degeneracy (`exceptional point'), a model for cycling around loops that enclose or exclude the degeneracy is solved exactly in terms of Bessel functions. Floquet solutions, returning exactly to their initial states (up to a constant) are found, as well as exact expressions for the adiabatic multipliers when the evolving states are represented as a superposition of eigenstates of the instantaneous Hamiltonian. Adiabatically (i.e. for slow cycles), the multipliers of exponentially subdominant eigenstates can vary wildly, unlike those driven by Hermitian operators, which change little. These variations are explained as an example of the Stokes phenomenon of asymptotics. Improved (superadiabatic) approximations tame the variations of the multipliers but do not eliminate them.},
author = {M V Berry and R Uzdin},
date-added = {2020-11-12 09:14:42 +0100},
date-modified = {2020-11-12 09:20:26 +0100},
doi = {10.1088/1751-8113/44/43/435303},
journal = {J. Phys. A Math. Theor.},
month = {oct},
number = {43},
pages = {435303},
publisher = {{IOP} Publishing},
title = {Slow non-Hermitian cycling: exact solutions and the Stokes phenomenon},
url = {https://doi.org/10.1088%2F1751-8113%2F44%2F43%2F435303},
volume = {44},
year = 2011,
Bdsk-Url-1 = {https://doi.org/10.1088%2F1751-8113%2F44%2F43%2F435303},
Bdsk-Url-2 = {https://doi.org/10.1088/1751-8113/44/43/435303}}
@book{BenderPTBook,
author = {C. M. Bender},
date-added = {2020-08-22 22:22:25 +0200},
date-modified = {2020-08-22 22:22:25 +0200},
publisher = {World Scientific},
title = {{{\cal PT}}-Symmetry in Quantum and Classical Physics},
year = {2019}}
@article{Benda_2018,
author = {Zsuzsanna Benda and Thomas-C. Jagau},
date-added = {2020-08-22 22:03:56 +0200},
date-modified = {2020-08-22 22:04:59 +0200},
doi = {10.1021/acs.jpclett.8b03228},
journal = {J. Phys. Chem. Lett.},
pages = {6978--6984},
title = {Locating Exceptional Points on Multidimensional Complex-Valued Potential Energy Surfaces},
volume = {9},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b03228}}
@book{BenderBook,
author = {C. M. Bender and S. A. Orszag},
date-added = {2020-07-28 09:59:40 +0200},
date-modified = {2020-07-28 09:59:40 +0200},
publisher = {Springer},
title = {Advanced Mathematical Methods for Scientists and Engineers: Asymptotics Methods and Perturbation Theory},
year = {1978}}
@article{Gill_1986,
author = {Gill, Peter M. W. and Radom, Leo},
date = {1986-11-28},
date-modified = {2020-08-22 22:12:45 +0200},
doi = {10.1016/0009-2614(86)80686-8},
journal = {Chem. Phys. Lett.},
number = {1},
pages = {16--22},
title = {Deceptive convergence in {M{\o}ller-Plesset} perturbation energies},
volume = {132},
year = {1986},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(86)80686-8}}
@article{Gill_1988,
author = {Gill, Peter M. W. and Pople, John A. and Radom, Leo and Nobes, Ross H.},
date = {1988-12-15},
date-modified = {2020-08-22 22:12:52 +0200},
doi = {10.1063/1.455312},
journal = {J. Chem. Phys.},
number = {12},
pages = {7307--7314},
title = {Why does unrestricted {M{\o}ller-Plesset} perturbation theory converge so slowly for spincontaminated wave functions?},
volume = {89},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455312}}
@article{Sergeev_2005,
author = {Sergeev, Alexey V. and Goodson, David Z. and Wheeler, Steven E. and Allen, Wesley D.},
date-modified = {2020-08-22 22:13:37 +0200},
doi = {10.1063/1.1991854},
journal = {J. Chem. Phys.},
number = {6},
pages = {064105},
title = {On the nature of the {M{\o}ller-Plesset} critical point},
volume = {123},
year = {2005},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1991854}}
@article{Sergeev_2006,
author = {Sergeev, Alexey V. and Goodson, David Z.},
date-modified = {2020-08-22 22:13:42 +0200},
doi = {10.1063/1.2173989},
journal = {J. Chem. Phys.},
number = {9},
pages = {094111},
title = {Singularities of {M{\o}ller-Plesset} energy functions},
volume = {124},
year = {2006},
Bdsk-Url-1 = {https://doi.org/10.1063/1.2173989}}
@article{Stillinger_2000,
author = {Stillinger, Frank H.},
date = {2000-05-31},
date-modified = {2020-08-22 22:14:50 +0200},
doi = {10.1063/1.481608},
journal = {J. Chem. Phys.},
number = {22},
pages = {9711--9715},
title = {{M{\o}ller-Plesset} convergence issues in computational quantum chemistry},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481608}}
@article{Olsen_1996,
author = {Olsen, Jeppe and Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
date-modified = {2020-11-12 09:19:06 +0100},
doi = {10.1063/1.472352},
journal = {J. Chem. Phys.},
pages = {5082--5090},
title = {Surprising cases of divergent behavior in {M{\o}ller-Plesset} perturbation theory},
volume = {105},
year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1063/1.472352}}
@article{Olsen_2000,
author = {Olsen, Jeppe and J{\o}rgensen, Poul and Helgaker, Trygve and Christiansen, Ove},
date-modified = {2020-11-12 09:19:09 +0100},
doi = {10.1063/1.481611},
journal = {J. Chem. Phys.},
pages = {9736--9748},
title = {Divergence in {M{\o}ller-Plesset} theory: {A} simple explanation based on a two-state model},
volume = {112},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.481611}}
@article{Olsen_2019,
author = {Olsen, Jeppe and J{\o}rgensen, Poul},
date-modified = {2020-08-22 22:21:37 +0200},
doi = {10.1063/1.5110554},
journal = {J. Chem. Phys.},
number = {8},
pages = {084108},
title = {Convergence patterns and rates in two-state perturbation expansions},
volume = {151},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5110554}}
@article{Moller_1934,
author = {M{\o}ller, Chr. and Plesset, M. S.},
date = {1934-10-01},
date-modified = {2020-08-22 22:12:33 +0200},
doi = {10.1103/PhysRev.46.618},
journal = {Phys. Rev.},
number = {7},
pages = {618--622},
title = {Note on an {Approximation Treatment for Many-Electron Systems}},
volume = {46},
year = {1934},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.46.618}}
@article{Handy_1985,
author = {Handy, N. C. and Knowles, P. J. and Somasundram, K.},
date-modified = {2020-08-22 22:13:56 +0200},
doi = {10.1007/BF00698753},
journal = {Theoret. Chim. Acta},
number = {1},
pages = {87--100},
title = {On the convergence of the {M{\o}ller-Plesset} perturbation series},
volume = {68},
year = {1985},
Bdsk-Url-1 = {https://doi.org/10.1007/BF00698753}}
@article{Christiansen_1996,
author = {Christiansen, Ove and Olsen, Jeppe and J{\o}rgensen, Poul and Koch, Henrik and Malmqvist, Per-{\AA}ke},
date = {1996-10-18},
date-modified = {2020-08-22 22:14:27 +0200},
doi = {10.1016/0009-2614(96)00974-8},
journal = {Chem. Phys. Lett.},
number = {3},
pages = {369--378},
title = {On the inherent divergence in the {M{\o}ller-Plesset} series. {The} neon atom --- a test case},
urldate = {2020-07-07},
volume = {261},
year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(96)00974-8}}
@incollection{Goodson_2004,
author = {Goodson, David Z. and Sergeev, Alexey V.},
booktitle = {Adv. Quantum Chem.},
date-modified = {2020-08-22 22:16:57 +0200},
doi = {10.1016/S0065-3276(04)47011-7},
pages = {193--208},
publisher = {Academic Press},
title = {Singularity Structure of {M{\o}ller-Plesset Perturbation Theory}},
volume = {47},
year = {2004},
Bdsk-Url-1 = {https://doi.org/10.1016/S0065-3276(04)47011-7}}
@article{Goodson_2011,
author = {Goodson, David Z.},
date-modified = {2020-11-20 09:53:53 +0100},
doi = {10.1002/wcms.92},
journal = {{WIREs} Comput. Mol. Sci.},
number = {5},
pages = {743--761},
title = {Resummation methods},
volume = {2},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1002/wcms.92}}
@article{Katz_1962,
author = {Katz, Amnon},
date = {1962-01-01},
doi = {10.1016/0029-5582(62)90191-8},
journal = {Nuclear Physics},
pages = {353--372},
title = {The analytic structure of many-body perturbation theory},
urldate = {2020-07-07},
volume = {29},
Bdsk-Url-1 = {https://doi.org/10.1016/0029-5582(62)90191-8}}
@article{Fukutome_1981,
author = {Fukutome, Hideo},
date = {1981},
doi = {10.1002/qua.560200502},
journaltitle = {J. Quantum Chem.},
number = {5},
pages = {955--1065},
title = {Unrestricted {Hartree-Fock} theory and its applications to molecules and chemical reactions},
volume = {20},
Bdsk-Url-1 = {https://doi.org/10.1002/qua.560200502}}
@article{Stillinger_1966,
author = {Stillinger, Frank H.},
date = {1966-11-15},
date-modified = {2020-08-22 22:14:44 +0200},
doi = {10.1063/1.1727380},
journal = {J. Chem. Phys.},
number = {10},
pages = {3623--3631},
title = {{GroundState Energy of TwoElectron Atoms}},
volume = {45},
year = {1966},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1727380}}
@article{Bittner_2012,
author = {Bittner, S. and Dietz, B. and G\"unther, U. and Harney, H. L. and Miski-Oglu, M. and Richter, A. and Sch\"afer, F.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:25:31 +0100},
doi = {10.1103/PhysRevLett.108.024101},
journal = {Phys. Rev. Lett.},
month = jan,
number = {2},
pages = {024101},
title = {{PT Symmetry} and {{Spontaneous Symmetry Breaking}} in a {{Microwave Billiard}}},
volume = {108},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.108.024101}}
@article{Chong_2011,
author = {Chong, Y. D. and Ge, Li and Stone, A. Douglas},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-27 20:43:12 +0100},
doi = {10.1103/PhysRevLett.106.093902},
journal = {Phys. Rev. Lett.},
month = mar,
number = {9},
pages = {093902},
title = {{PT Symmetry Breaking and Laser Absorber Modes in Optical Scattering Systems}},
volume = {106},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.106.093902}}
@article{Chtchelkatchev_2012,
author = {Chtchelkatchev, N. M. and Golubov, A. A. and Baturina, T. I. and Vinokur, V. M.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:26:10 +0100},
doi = {10.1103/PhysRevLett.109.150405},
journal = {Phys. Rev. Lett.},
month = oct,
number = {15},
pages = {150405},
title = {{Stimulation of the Fluctuation Superconductivity by PT Symmetry}},
volume = {109},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.109.150405}}
@article{Doppler_2016,
author = {Doppler, J\"org and Mailybaev, Alexei A. and B\"ohm, Julian and Kuhl, Ulrich and Girschik, Adrian and Libisch, Florian and Milburn, Thomas J. and Rabl, Peter and Moiseyev, Nimrod and Rotter, Stefan},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1038/nature18605},
journal = {Nature},
month = sep,
number = {7618},
pages = {76-79},
title = {{Dynamically Encircling an Exceptional Point for Asymmetric Mode Switching}},
volume = {537},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1038/nature18605}}
@article{Guo_2009,
author = {Guo, A. and Salamo, G. J. and Duchesne, D. and Morandotti, R. and {Volatier-Ravat}, M. and Aimez, V. and Siviloglou, G. A. and Christodoulides, D. N.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:26:27 +0100},
doi = {10.1103/PhysRevLett.103.093902},
journal = {Phys. Rev. Lett.},
month = aug,
number = {9},
pages = {093902},
title = {Observation of {PT Symmetry Breaking in Complex Optical Potentials}},
volume = {103},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.103.093902}}
@article{Hang_2013,
author = {Hang, Chao and Huang, Guoxiang and Konotop, Vladimir V.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:26:38 +0100},
doi = {10.1103/PhysRevLett.110.083604},
journal = {Phys. Rev. Lett.},
month = feb,
number = {8},
pages = {083604},
title = {{PT Symmetry with a System of Three-Level Atoms}},
volume = {110},
year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.110.083604}}
@article{Liertzer_2012,
author = {Liertzer, M. and Ge, Li and Cerjan, A. and Stone, A. D. and T\"ureci, H. E. and Rotter, S.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:26:53 +0100},
doi = {10.1103/PhysRevLett.108.173901},
journal = {Phys. Rev. Lett.},
month = apr,
number = {17},
pages = {173901},
title = {{Pump-Induced Exceptional Points in Lasers}},
volume = {108},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.108.173901}}
@article{Longhi_2010,
author = {Longhi, Stefano},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:27:08 +0100},
doi = {10.1103/PhysRevLett.105.013903},
journal = {Phys. Rev. Lett.},
month = jun,
number = {1},
pages = {013903},
title = {{Optical Realization of Relativistic Non-Hermitian Quantum Mechanics}},
volume = {105},
year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.105.013903}}
@article{Peng_2014,
author = {Peng, B. and Ozdemir, . K. and Rotter, S. and Yilmaz, H. and Liertzer, M. and Monifi, F. and Bender, C. M. and Nori, F. and Yang, L.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1126/science.1258004},
journal = {Science},
month = oct,
number = {6207},
pages = {328-332},
title = {{Loss-Induced Suppression and Revival of Lasing}},
volume = {346},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1126/science.1258004}}
@article{Peng_2014a,
author = {Peng, Bo and \"Ozdemir, {\c S}ahin Kaya and Lei, Fuchuan and Monifi, Faraz and Gianfreda, Mariagiovanna and Long, Gui Lu and Fan, Shanhui and Nori, Franco and Bender, Carl M. and Yang, Lan},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1038/nphys2927},
journal = {Nat. Phys.},
month = may,
number = {5},
pages = {394-398},
title = {{Parity\textendash{}Time-Symmetric Whispering-Gallery Microcavities}},
volume = {10},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1038/nphys2927}}
@article{Regensburger_2012,
author = {Regensburger, Alois and Bersch, Christoph and Miri, Mohammad-Ali and Onishchukov, Georgy and Christodoulides, Demetrios N. and Peschel, Ulf},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1038/nature11298},
journal = {Nature},
month = aug,
number = {7410},
pages = {167-171},
title = {{Parity\textendash{}Time Synthetic Photonic Lattices}},
volume = {488},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1038/nature11298}}
@article{Ruter_2010,
author = {R\"uter, Christian E. and Makris, Konstantinos G. and {El-Ganainy}, Ramy and Christodoulides, Demetrios N. and Segev, Mordechai and Kip, Detlef},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1038/nphys1515},
journal = {Nat. Phys.},
month = mar,
number = {3},
pages = {192-195},
title = {{Observation of Parity\textendash{}Time Symmetry in Optics}},
volume = {6},
year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1038/nphys1515}}
@article{Schindler_2011,
author = {Schindler, Joseph and Li, Ang and Zheng, Mei C. and Ellis, F. M. and Kottos, Tsampikos},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:27:21 +0100},
doi = {10.1103/PhysRevA.84.040101},
journal = {Phys. Rev. A},
month = oct,
number = {4},
pages = {040101},
title = {{Experimental Study of Active \emph{LRC} Circuits with PT Symmetries}},
volume = {84},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.84.040101}}
@article{Szameit_2011,
author = {Szameit, Alexander and Rechtsman, Mikael C. and {Bahat-Treidel}, Omri and Segev, Mordechai},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:27:31 +0100},
doi = {10.1103/PhysRevA.84.021806},
journal = {Phys. Rev. A},
month = aug,
number = {2},
pages = {021806},
title = {{PT-Symmetry in Honeycomb Photonic Lattice}s},
volume = {84},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.84.021806}}
@article{Zhao_2010,
author = {Zhao, K. F. and Schaden, M. and Wu, Z.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:27:45 +0100},
doi = {10.1103/PhysRevA.81.042903},
journal = {Phys. Rev. A},
month = apr,
number = {4},
pages = {042903},
title = {{Enhanced Magnetic Resonance Signal of Spin-Polarized {{Rb}} Atoms near Surfaces of Coated Cells}},
volume = {81},
year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.81.042903}}
@article{Zheng_2013,
author = {Zheng, C. and Hao, L. and Long, G. L.},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1098/rsta.2012.0053},
journal = {Philos. Trans. R. Soc. Math. Phys. Eng. Sci.},
month = mar,
number = {1989},
pages = {20120053-20120053},
title = {{Observation of a Fast Evolution in a Parity\textendash{}Time-Symmetric System}},
volume = {371},
year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1098/rsta.2012.0053}}
@article{Choi_2018,
author = {Choi, Youngsun and Hahn, Choloong and Yoon, Jae Woong and Song, Seok Ho},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-21 16:29:02 +0100},
doi = {10.1038/s41467-018-04690-y},
journal = {Nat. Commun.},
month = dec,
number = {1},
pages = {2182},
title = {{Observation of an Anti-PT-Symmetric Exceptional Point and Energy-Difference Conserving Dynamics in Electrical Circuit Resonators}},
volume = {9},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1038/s41467-018-04690-y}}
@article{El-Ganainy_2018,
author = {El-Ganainy, Ramy and Makris, Konstantinos G. and Khajavikhan, Mercedeh and Musslimani, Ziad H. and Rotter, Stefan and Christodoulides, Demetrios N.},
date-added = {2019-01-30 12:10:10 +0100},
date-modified = {2019-01-30 12:10:10 +0100},
doi = {10.1038/nphys4323},
journal = {Nat. Phys.},
language = {en},
month = jan,
number = {1},
pages = {11-19},
title = {{Non-Hermitian Physics and PT Symmetry}},
volume = {14},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1038/nphys4323}}
@article{Heiss_2012,
author = {Heiss, W D},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1088/1751-8113/45/44/444016},
issn = {1751-8113, 1751-8121},
journal = {J. Phys. Math. Theor.},
month = nov,
number = {44},
pages = {444016},
title = {{The Physics of Exceptional Points}},
volume = {45},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1088/1751-8113/45/44/444016}}
@article{Heiss_1990,
author = {Heiss, W D and Sannino, A L},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-20 22:03:11 +0100},
doi = {10.1088/0305-4470/23/7/022},
journal = {J. Phys. Math. Gen.},
month = apr,
number = {7},
pages = {1167-1178},
title = {{Avoided Level Crossing and Exceptional Points}},
volume = {23},
year = {1990},
Bdsk-Url-1 = {https://doi.org/10.1088/0305-4470/23/7/022}}
@article{Heiss_2016,
author = {Heiss, Dieter},
date-added = {2019-01-20 22:03:11 +0100},
date-modified = {2019-01-27 20:41:40 +0100},
doi = {10.1038/nphys3864},
journal = {Nat. Phys.},
pages = {823--824},
title = {{Circling Exceptional Points}},
volume = {12},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1038/nphys3864}}
@article{Heiss_1999,
author = {W. D. Heiss},
date-added = {2018-12-06 20:49:57 +0100},
date-modified = {2020-11-12 09:11:03 +0100},
doi = {10.1007/s100530050339},
journal = {Eur. Phys. J. D},
pages = {1},
title = {Phases of wave functions and level repulsion},
volume = {7},
year = {1999},
Bdsk-Url-1 = {https://doi.org/10.1007/s100530050339}}
@article{Yarkony_1996,
author = {D. R. Yarkony},
date-added = {2018-12-06 20:45:42 +0100},
date-modified = {2018-12-06 20:47:03 +0100},
doi = {10.1103/RevModPhys.68.985},
journal = {Rev. Mod. Phys.},
pages = {985},
title = {Diabolical conical intersections},
volume = {68},
year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1103/RevModPhys.68.985}}
@article{Berry_1984,
author = {M. V. Berry},
doi = {10.1103/RevModPhys.35.496},
journal = {Proc. Royal Soc. A},
pages = {45},
title = {{Quantal Phase Factors Accompanying Adiabatic Changes}},
volume = {392},
year = {1984},
Bdsk-Url-1 = {https://doi.org/10.1103/RevModPhys.35.496}}
@book{MoiseyevBook,
author = {N. Moiseyev},
date-added = {2018-10-16 13:34:32 +0200},
date-modified = {2018-10-16 13:35:43 +0200},
publisher = {Cambridge University Press},
title = {{Non-Hermitian Quantum Mechanics}},
year = {2011}}
@book{SzaboBook,
author = {A. Szabo and N. S. Ostlund},
date-added = {2019-01-22 22:33:30 +0100},
date-modified = {2019-01-22 22:33:30 +0100},
publisher = {McGraw-Hill},
title = {Modern quantum chemistry: {Introduction} to advanced electronic structure},
year = {1989}}
@article{Lepetit_1988,
author = {Lepetit, M. B. and P{\'e}lissier, M. and Malrieu, J. P.},
date-modified = {2020-08-22 22:14:08 +0200},
doi = {10.1063/1.455170},
journal = {J. Chem. Phys.},
number = {2},
pages = {998--1008},
title = {Origins of the poor convergence of manybody perturbation theory expansions from unrestricted {Hartree-Fock} zerothorder descriptions},
volume = {89},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1063/1.455170}}
@article{Cremer_1996,
author = {Cremer, Dieter and He, Zhi},
date = {1996-01-01},
date-modified = {2020-08-22 22:14:17 +0200},
doi = {10.1021/jp952815d},
journal = {J. Phys. Chem.},
number = {15},
pages = {6173--6188},
title = {{Sixth-Order M{\o}ller-Plesset Perturbation Theory On the Convergence of the MPn Series}},
volume = {100},
year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1021/jp952815d}}
@article{Baker_1971,
author = {{Baker}, {GEORGE} A.},
date = {1971-10-01},
date-modified = {2020-08-22 22:15:01 +0200},
doi = {10.1103/RevModPhys.43.479},
journal = {Rev. Mod. Phys.},
number = {4},
pages = {479--531},
title = {{Singularity Structure of the Perturbation Series for the Ground-State Energy of a Many-Fermion System}},
volume = {43},
year = {1971},
Bdsk-Url-1 = {https://doi.org/10.1103/RevModPhys.43.479}}
@article{Cejnar_2005,
author = {Cejnar, Pavel and Heinze, Stefan and Dobe{\v s}, Jan},
date-modified = {2020-08-22 22:15:51 +0200},
doi = {10.1103/PhysRevC.71.011304},
journal = {Phys. Rev. C},
number = {1},
pages = {011304},
title = {Thermodynamic analogy for quantum phase transitions at zero temperature},
volume = {71},
year = {2005},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevC.71.011304}}
@article{Stransky_2018,
author = {Str{\'a}nsk{\'y}, Pavel and Dvo{\v r}{\'a}k, Martin and Cejnar, Pavel},
date-modified = {2020-08-22 22:16:36 +0200},
doi = {10.1103/PhysRevE.97.012112},
journal = {Phys. Rev. E},
number = {1},
pages = {012112},
title = {Exceptional points near first- and second-order quantum phase transitions},
volume = {97},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevE.97.012112}}
@article{Cejnar_2007,
author = {Cejnar, Pavel and Heinze, Stefan and Macek, Michal},
date-modified = {2020-08-22 22:16:14 +0200},
doi = {10.1103/PhysRevLett.99.100601},
journal = {Phys. Rev. Lett.},
number = {10},
pages = {100601},
title = {{Coulomb Analogy for Non-Hermitian Degeneracies near Quantum Phase Transitions}},
volume = {99},
year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.99.100601}}
@article{Heiss_1988,
author = {Heiss, W. D.},
date = {1988-06-01},
date-modified = {2020-08-22 22:15:11 +0200},
doi = {10.1007/BF01283767},
journal = {Z. Physik A - Atomic Nuclei},
number = {2},
pages = {133--138},
title = {{Exceptional points of a Hamiltonian and phase transitions in finite systems}},
volume = {329},
year = {1988},
Bdsk-Url-1 = {https://doi.org/10.1007/BF01283767}}
@article{Heiss_2002,
author = {Heiss, W. D. and M{\"u}ller, M.},
date-modified = {2020-08-22 22:15:23 +0200},
doi = {10.1103/PhysRevE.66.016217},
journal = {Phys. Rev. E},
number = {1},
pages = {016217},
title = {Universal relationship between a quantum phase transition and instability points of classical systems},
volume = {66},
year = {2002},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevE.66.016217}}
@article{Sindelka_2017,
author = {{\v S}indelka, Milan and Santos, Lea F. and Moiseyev, Nimrod},
date-modified = {2020-08-22 22:17:28 +0200},
doi = {10.1103/PhysRevA.95.010103},
journal = {Phys. Rev. A},
number = {1},
pages = {010103},
title = {Excited-state quantum phase transitions studied from a non-{Hermitian} perspective},
volume = {95},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.95.010103}}
@article{Cejnar_2015,
author = {Cejnar, Pavel and Str{\'a}nsk{\'y}, Pavel and Kloc, Michal},
date-modified = {2020-08-22 22:16:06 +0200},
doi = {10.1088/0031-8949/90/11/114015},
journal = {Phys. Scr.},
number = {11},
pages = {114015},
title = {Excited-state quantum phase transitions in finite many-body systems},
volume = {90},
year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1088/0031-8949/90/11/114015}}
@article{Cejnar_2009,
author = {Cejnar, Pavel and Jolie, Jan},
date-modified = {2020-08-22 22:16:10 +0200},
doi = {10.1016/j.ppnp.2008.08.001},
journal = {Prog. Part. Nucl. Phys.},
number = {1},
pages = {210--256},
title = {Quantum phase transitions in the interacting boson model},
volume = {62},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1016/j.ppnp.2008.08.001}}
@article{Borisov_2015,
author = {Borisov, Denis I. and Ru{\v z}i{\v c}ka, Franti{\v s}ek and Znojil, Miloslav},
date-modified = {2020-08-22 22:17:17 +0200},
doi = {10.1007/s10773-014-2493-y},
journal = {Int. J. Theor. Phys.},
number = {12},
pages = {4293--4305},
title = {{Multiply Degenerate Exceptional Points and Quantum Phase Transitions}},
volume = {54},
year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1007/s10773-014-2493-y}}
@article{Caprio_2008,
author = {Caprio, M. A. and Cejnar, P. and Iachello, F.},
date-modified = {2020-08-22 22:17:54 +0200},
doi = {10.1016/j.aop.2007.06.011},
journal = {Ann. Phys. (N. Y.)},
number = {5},
pages = {1106--1135},
title = {Excited state quantum phase transitions in many-body systems},
volume = {323},
year = {2008},
Bdsk-Url-1 = {https://doi.org/10.1016/j.aop.2007.06.011}}
@article{Macek_2019,
author = {Macek, Michal and Str{\'a}nsk{\'y}, Pavel and Leviatan, Amiram and Cejnar, Pavel},
date-modified = {2020-08-22 22:16:29 +0200},
doi = {10.1103/PhysRevC.99.064323},
journal = {Phys. Rev. C},
number = {6},
pages = {064323},
title = {Excited-state quantum phase transitions in systems with two degrees of freedom. {III}. {Interacting boson systems}},
volume = {99},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevC.99.064323}}
@book{Sachdev_2011,
author = {Sachdev, Subir},
date-modified = {2020-08-22 22:17:37 +0200},
doi = {10.1017/CBO9780511973765},
publisher = {Cambridge University Press},
title = {{Quantum Phase Transitions}},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1017/CBO9780511973765}}
@article{Cejnar_2016,
author = {Cejnar, Pavel and Str{\'a}nsk{\'y}, Pavel},
date-modified = {2020-08-22 22:16:22 +0200},
doi = {10.1088/0031-8949/91/8/083006},
journal = {Phys. Scr.},
number = {8},
pages = {083006},
title = {Quantum phase transitions in the collective degrees of freedom: nuclei and other many-body systems},
volume = {91},
year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1088/0031-8949/91/8/083006}}
@article{Burton_2019,
author = {Burton, Hugh G. A. and Thom, Alex J. W. and Loos, Pierre-Fran{\c c}ois},
doi = {10.1063/1.5085121},
journal = {J. Chem. Phys.},
month = jan,
number = {4},
pages = {041103},
title = {Complex adiabatic connection: {A} hidden non-{Hermitian} path from ground to excited states},
volume = {150},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5085121}}
@article{Burton_2019a,
author = {Burton, Hugh G. A. and Thom, Alex J. W. and Loos, Pierre-Fran{\c c}ois},
doi = {10.1021/acs.jctc.9b00289},
journal = {J. Chem. Theory Comput.},
month = aug,
number = {8},
pages = {4374--4385},
title = {Parity-{Time} {Symmetry} in {Hartree}--{Fock} {Theory}},
volume = {15},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00289}}
@article{Burton_2019b,
author = {Burton, Hugh G. A. and Thom, Alex J. W.},
doi = {10.1021/acs.jctc.9b00441},
journal = {J. Chem. Theory Comput.},
pages = {4851},
title = {General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction},
volume = {15},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00441}}
@article{Hiscock_2014,
author = {Hiscock, Hamish G. and Thom, Alex J. W.},
doi = {10.1021/ct5007696},
journal = {J. Chem. Theory Comput.},
month = nov,
number = {11},
pages = {4795--4800},
title = {Holomorphic {Hartree}--{Fock} {Theory} and {Configuration} {Interaction}},
volume = {10},
year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1021/ct5007696}}
@article{Seidl_2018,
author = {Seidl, Michael and Giarrusso, Sara and Vuckovic, Stefan and Fabiano, Eduardo and Gori-Giorgi, Paola},
doi = {10.1063/1.5078565},
journal = {J. Chem. Phys.},
month = dec,
number = {24},
pages = {241101},
title = {Communication: {Strong}-interaction limit of an adiabatic connection in {Hartree}-{Fock} theory},
volume = {149},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5078565}}
@book{GiulianiBook,
author = {Giuliani, Gabriele and Vignale, Giovanni},
doi = {10.1017/CBO9780511619915},
isbn = {978-0-521-52796-5},
publisher = {Cambridge University Press},
title = {Quantum {Theory} of the {Electron} {Liquid}},
urldate = {2020-07-21},
year = {2005},
Bdsk-Url-1 = {https://doi.org/10.1017/CBO9780511619915}}
@book{AngularBook,
author = {Edmonds, A. R.},
isbn = {978-0-691-02589-6},
publisher = {Princeton University Press},
title = {Angular {Momentum} in {Quantum} {Mechanics}},
year = {1996}}
@book{SlaterBook,
author = {Slater, John Clarke},
publisher = {McGraw-Hill},
title = {{Quantum Theory of Atomic Structure}},
year = {1960}}
@article{Loos_2009,
author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
doi = {10.1103/PhysRevA.79.062517},
journal = {Phys. Rev. A},
month = jun,
number = {6},
pages = {062517},
title = {Ground state of two electrons on a sphere},
volume = {79},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.79.062517}}
@book{Ushveridze_1994,
author = {Ushveridze, Alexander G},
isbn = {978-0-7503-0266-1},
publisher = {Institute of Physics Publishing},
title = {Quasi-exactly solvable models in quantum mechanics},
year = {1994}}
@article{Lipkin_1965,
author = {Lipkin, H. J. and Meshkov, N. and Glick, A. J.},
doi = {10.1016/0029-5582(65)90862-X},
journal = {Nucl. Phys.},
language = {en},
month = feb,
number = {2},
pages = {188--198},
title = {Validity of many-body approximation methods for a solvable model: ({I}). {Exact} solutions and perturbation theory},
volume = {62},
year = {1965},
Bdsk-Url-1 = {https://doi.org/10.1016/0029-5582(65)90862-X}}
@article{Wigner_1934,
author = {Wigner, E.},
date-modified = {2020-12-04 09:10:54 +0100},
doi = {10.1103/PhysRev.46.1002},
journal = {Phys. Rev.},
pages = {1002--1011},
title = {On the {Interaction} of {Electrons} in {Metals}},
volume = {46},
year = {1934},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.46.1002}}
@article{Thompson_2005,
author = {Thompson, David C. and Alavi, Ali},
doi = {10.1063/1.1869978},
issn = {0021-9606},
journal = {J. Chem. Phys.},
month = mar,
number = {12},
pages = {124107},
title = {A comparison of {Hartree}--{Fock} and exact diagonalization solutions for a model two-electron system},
volume = {122},
year = {2005},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1869978}}
@article{Seidl_2007,
author = {Seidl, Michael},
doi = {10.1103/PhysRevA.75.062506},
journal = {Phys. Rev. A},
month = jun,
number = {6},
pages = {062506},
title = {Adiabatic connection in density-functional theory: {Two} electrons on the surface of a sphere},
volume = {75},
year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.75.062506}}
@article{Loos_2009b,
author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
doi = {10.1103/PhysRevLett.103.123008},
journal = {Phys. Rev. Let.},
month = sep,
number = {12},
pages = {123008},
title = {Two {Electrons} on a {Hypersphere}: {A} {Quasiexactly} {Solvable} {Model}},
volume = {103},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.103.123008}}
@article{Cejnar_2003,
author = {Cejnar, Pavel and Heinze, Stefan and Jolie, Jan},
doi = {10.1103/PhysRevC.68.034326},
journal = {Phys. Rev. C},
pages = {034326},
publisher = {{American Physical Society}},
title = {Ground-State Shape Phase Transitions in Nuclei: {{Thermodynamic}} Analogy and Finite-\${{N}}\$ Effects},
volume = {68},
year = {2003},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevC.68.034326}}
@article{Cejnar_2000,
author = {Cejnar, Pavel and Jolie, Jan},
doi = {10.1103/PhysRevE.61.6237},
journal = {Phys. Rev. E},
pages = {6237--6247},
publisher = {{American Physical Society}},
title = {Quantum Phase Transitions Studied within the Interacting Boson Model},
volume = {61},
year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevE.61.6237}}
@article{Cejnar_2007a,
author = {Cejnar, Pavel and Iachello, Francesco},
doi = {10.1088/1751-8113/40/4/001},
journal = {J. Phys. A: Math. Theor.},
pages = {581--595},
publisher = {{IOP Publishing}},
title = {Phase Structure of Interacting Boson Models in Arbitrary Dimension},
volume = {40},
year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1088/1751-8113/40/4/001}}