1061 lines
37 KiB
BibTeX
1061 lines
37 KiB
BibTeX
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@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 = {2020-11-12 14:51:07 +0100},
|
||
doi = {10.1063/1.481764},
|
||
eprint = {https://doi.org/10.1063/1.481764},
|
||
journal = {The Journal of Chemical Physics},
|
||
number = {21},
|
||
pages = {9213-9222},
|
||
title = {Is Mo/ller--Plesset perturbation theory a convergent ab initio method?},
|
||
url = {https://doi.org/10.1063/1.481764},
|
||
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},
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||
date-added = {2020-08-22 22:03:56 +0200},
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||
date-modified = {2020-08-22 22:04:59 +0200},
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doi = {10.1021/acs.jpclett.8b03228},
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||
journal = {J. Phys. Chem. Lett.},
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||
pages = {6978--6984},
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||
title = {Locating Exceptional Points on Multidimensional Complex-Valued Potential Energy Surfaces},
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||
volume = {9},
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||
year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b03228}}
|
||
|
||
@book{BenderBook,
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||
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},
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||
year = {1978}}
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||
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||
@article{Gill_1986,
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||
author = {Gill, Peter M. W. and Radom, Leo},
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||
date = {1986-11-28},
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date-modified = {2020-08-22 22:12:45 +0200},
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||
doi = {10.1016/0009-2614(86)80686-8},
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||
journal = {Chem. Phys. Lett.},
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||
number = {1},
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||
pages = {16--22},
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||
title = {Deceptive convergence in {M{\o}ller-Plesset} perturbation energies},
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||
volume = {132},
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||
year = {1986},
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||
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(86)80686-8}}
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||
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||
@article{Gill_1988,
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||
author = {Gill, Peter M. W. and Pople, John A. and Radom, Leo and Nobes, Ross H.},
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||
date = {1988-12-15},
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date-modified = {2020-08-22 22:12:52 +0200},
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||
doi = {10.1063/1.455312},
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journal = {J. Chem. Phys.},
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||
number = {12},
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||
pages = {7307--7314},
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||
title = {Why does unrestricted {M{\o}ller-Plesset} perturbation theory converge so slowly for spin‐contaminated wave functions?},
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||
volume = {89},
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||
year = {1988},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.455312}}
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@article{Sergeev_2005,
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author = {Sergeev, Alexey V. and Goodson, David Z. and Wheeler, Steven E. and Allen, Wesley D.},
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doi = {10.1063/1.1991854},
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journal = {J. Chem. Phys.},
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number = {6},
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pages = {064105},
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title = {On the nature of the {M{\o}ller-Plesset} critical point},
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volume = {123},
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year = {2005},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.1991854}}
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||
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@article{Sergeev_2006,
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author = {Sergeev, Alexey V. and Goodson, David Z.},
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date-modified = {2020-08-22 22:13:42 +0200},
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doi = {10.1063/1.2173989},
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journal = {J. Chem. Phys.},
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number = {9},
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pages = {094111},
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title = {Singularities of {M{\o}ller-Plesset} energy functions},
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||
volume = {124},
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||
year = {2006},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.2173989}}
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||
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||
@article{Stillinger_2000,
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||
author = {Stillinger, Frank H.},
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date = {2000-05-31},
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date-modified = {2020-08-22 22:14:50 +0200},
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||
doi = {10.1063/1.481608},
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journal = {J. Chem. Phys.},
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number = {22},
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||
pages = {9711--9715},
|
||
title = {{M{\o}ller-Plesset} convergence issues in computational quantum chemistry},
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||
volume = {112},
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||
year = {2000},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.481608}}
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||
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@article{Olsen_1996,
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author = {Olsen, Jeppe and Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
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date-modified = {2020-11-12 09:19:06 +0100},
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doi = {10.1063/1.472352},
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journal = {J. Chem. Phys.},
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pages = {5082--5090},
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title = {Surprising cases of divergent behavior in {M{\o}ller-Plesset} perturbation theory},
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volume = {105},
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year = {1996},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.472352}}
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@article{Olsen_2000,
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||
author = {Olsen, Jeppe and J{\o}rgensen, Poul and Helgaker, Trygve and Christiansen, Ove},
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||
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},
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||
volume = {112},
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||
year = {2000},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.481611}}
|
||
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||
@article{Olsen_2019,
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author = {Olsen, Jeppe and J{\o}rgensen, Poul},
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date-modified = {2020-08-22 22:21:37 +0200},
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doi = {10.1063/1.5110554},
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journal = {J. Chem. Phys.},
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number = {8},
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pages = {084108},
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title = {Convergence patterns and rates in two-state perturbation expansions},
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volume = {151},
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year = {2019},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5110554}}
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||
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@article{Moller_1934,
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||
author = {M{\o}ller, Chr. and Plesset, M. S.},
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date = {1934-10-01},
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doi = {10.1103/PhysRev.46.618},
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journal = {Phys. Rev.},
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number = {7},
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pages = {618--622},
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title = {Note on an {Approximation Treatment for Many-Electron Systems}},
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volume = {46},
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year = {1934},
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Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.46.618}}
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@article{Handy_1985,
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author = {Handy, N. C. and Knowles, P. J. and Somasundram, K.},
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date-modified = {2020-08-22 22:13:56 +0200},
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doi = {10.1007/BF00698753},
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journal = {Theoret. Chim. Acta},
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||
number = {1},
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pages = {87--100},
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title = {On the convergence of the {M{\o}ller-Plesset} perturbation series},
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Bdsk-Url-1 = {https://doi.org/10.1007/BF00698753}}
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@article{Christiansen_1996,
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pages = {369--378},
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title = {On the inherent divergence in the {M{\o}ller-Plesset} series. {The} neon atom --- a test case},
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urldate = {2020-07-07},
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Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(96)00974-8}}
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@incollection{Goodson_2004,
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author = {Goodson, David Z. and Sergeev, Alexey V.},
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booktitle = {Adv. Quantum Chem.},
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publisher = {Academic Press},
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title = {Singularity Structure of {M{\o}ller-Plesset Perturbation Theory}},
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year = {2004},
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Bdsk-Url-1 = {https://doi.org/10.1016/S0065-3276(04)47011-7}}
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@article{Goodson_2012,
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author = {Goodson, David Z.},
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doi = {10.1002/wcms.92},
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journal = {{WIREs} Comput. Mol. Sci.},
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title = {Resummation methods},
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year = {2012},
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Bdsk-Url-1 = {https://doi.org/10.1002/wcms.92}}
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@article{Katz_1962,
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author = {Katz, Amnon},
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doi = {10.1016/0029-5582(62)90191-8},
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journal = {Nuclear Physics},
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pages = {353--372},
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title = {The analytic structure of many-body perturbation theory},
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urldate = {2020-07-07},
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volume = {29},
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Bdsk-Url-1 = {https://doi.org/10.1016/0029-5582(62)90191-8}}
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@article{Fukutome_1981,
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author = {Fukutome, Hideo},
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number = {5},
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pages = {955--1065},
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title = {Unrestricted {Hartree-Fock} theory and its applications to molecules and chemical reactions},
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volume = {20},
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Bdsk-Url-1 = {https://doi.org/10.1002/qua.560200502}}
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@article{Stillinger_1966,
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author = {Stillinger, Frank H.},
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date = {1966-11-15},
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date-modified = {2020-08-22 22:14:44 +0200},
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doi = {10.1063/1.1727380},
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journal = {J. Chem. Phys.},
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number = {10},
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pages = {3623--3631},
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title = {{Ground‐State Energy of Two‐Electron Atoms}},
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year = {1966},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.1727380}}
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@article{Bittner_2012,
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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.},
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date-added = {2019-01-20 22:03:11 +0100},
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month = jan,
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number = {2},
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title = {{PT Symmetry} and {{Spontaneous Symmetry Breaking}} in a {{Microwave Billiard}}},
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volume = {108},
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year = {2012},
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Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.108.024101}}
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@article{Chong_2011,
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author = {Chong, Y. D. and Ge, Li and Stone, A. Douglas},
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date-added = {2019-01-20 22:03:11 +0100},
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month = mar,
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number = {9},
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title = {{PT Symmetry Breaking and Laser Absorber Modes in Optical Scattering Systems}},
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volume = {106},
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year = {2011},
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Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.106.093902}}
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@article{Chtchelkatchev_2012,
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author = {Chtchelkatchev, N. M. and Golubov, A. A. and Baturina, T. I. and Vinokur, V. M.},
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date-added = {2019-01-20 22:03:11 +0100},
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