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%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2019-03-23 10:31:56 +0100
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@article{Knowles84,
Author = {P. J. Knowles and N. C. Handy},
Date-Added = {2019-03-23 10:31:23 +0100},
Date-Modified = {2019-03-23 10:31:32 +0100},
Journal = {Chem. Phys. Lett.},
Keywords = {correlation},
Pages = {315--321},
Title = {A new determinant-based full configuration interaction method},
Volume = {111},
Year = {1984}}
@article{Knowles89,
Author = {P. J. Knowles and N. C. Handy},
Date-Added = {2019-03-23 10:31:23 +0100},
Date-Modified = {2019-03-23 10:31:28 +0100},
Doi = {10.1016/0010-4655(89)90033-7},
Journal = {Comput. Phys. Commun.},
Pages = {75--83},
Title = {A determinant based full configuration interaction program},
Volume = {54},
Year = {1989},
Bdsk-Url-1 = {https://doi.org/10.1016/0010-4655(89)90033-7}}
@article{eee15,
Author = {P. F. Loos and N. J. Bloomfield and P. M. W. Gill},
Date-Added = {2019-03-23 10:29:52 +0100},
Date-Modified = {2019-03-23 10:29:52 +0100},
Journal = {J. Chem. Phys.},
Pages = {181101},
Title = {Three-electron coalescence points in two and three dimensions},
Volume = {143},
Year = {2015}}
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Author = {A. Scemama and Y. Garniron and M. Caffarel and P. F. Loos},
Date-Added = {2019-03-23 10:21:00 +0100},
Date-Modified = {2019-03-23 10:21:00 +0100},
Doi = {10.1021/acs.jctc.7b01250},
Journal = {J. Chem. Theory Comput.},
Pages = {1395},
Title = {Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b01250}}
@article{Scemama18b,
Author = {A. Scemama and A. Benali and D. Jacquemin and M. Caffarel and P. F. Loos},
Date-Added = {2019-03-23 10:21:00 +0100},
Date-Modified = {2019-03-23 10:21:00 +0100},
Doi = {10.1063/1.5041327},
Journal = {J. Chem. Phys.},
Pages = {xxxxxx},
Title = {Excitation energies from diffusion Monte Carlo using selected Configuration Interaction nodes},
Volume = {149},
Year = {in press},
Bdsk-Url-1 = {https://arxiv.org/pdf/1805.09553.pdf}}
@article{Heully96,
Author = {Heully, J. L. and Malrieu, J. P. and Zaitsevskii, A.},
Date-Added = {2019-03-23 10:17:49 +0100},
Date-Modified = {2019-03-23 10:18:00 +0100},
Doi = {10.1063/1.471982},
File = {/Users/loos/Zotero/storage/D3SYMXH6/Heully et al. - 1996 - On the origin of size inconsistency of the second.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = oct,
Number = {16},
Pages = {6887--6891},
Title = {On the Origin of Size Inconsistency of the Second-order State-specific Effective {{Hamiltonian}} Method},
Volume = {105},
Year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1063/1.471982}}
@article{Malrieu85,
Abstract = {The theory of effective Hamiltonians is well established. However, limitations appear in its applicability for many problems in molecular physics and quantum chemistry. The standard effective Hamiltonians may become strongly non-Hermitian when there is a large coupling between the model space, in which they are defined, and the outer space. Moreover, in the presence of intruder states, discontinuities appear in the matrix elements of these effective Hamiltonians as a function of the internuclear distances. To solve these difficulties, a new class of effective Hamiltonians (called intermediate Hamiltonians) is presented: only one part of their roots are exact eigen energies of the full Hamiltonian. The theory of these intermediate Hamiltonians is presented by means of a new waveoperator R which is the analogue of the wave-operator R in the theory of effective Hamiltonians. Solutions are obtained by a generalised degenerate perturbation theory (GDPT) and by iterative procedures. Two model systems are numerically solved which demonstrate the good convergence properties of GDFT with respect to standard degenerate perturbation theory (DPT). Continuity of the solutions is also checked in the presence of an intruder state.},
Author = {Malrieu, J P and Durand, P and Daudey, J P},
Date-Added = {2019-03-23 10:17:09 +0100},
Date-Modified = {2019-03-23 10:17:13 +0100},
Doi = {10.1088/0305-4470/18/5/014},
File = {/Users/loos/Zotero/storage/KUDRGJEN/Malrieu et al. - 1985 - Intermediate Hamiltonians as a new class of effect.pdf},
Issn = {0305-4470, 1361-6447},
Journal = {J. Phys. Math. Gen.},
Language = {en},
Month = apr,
Number = {5},
Pages = {809--826},
Title = {Intermediate {{Hamiltonians}} as a New Class of Effective {{Hamiltonians}}},
Volume = {18},
Year = {1985},
Bdsk-Url-1 = {https://doi.org/10.1088/0305-4470/18/5/014}}
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Date-Added = {2019-03-10 21:06:09 +0100},
Date-Modified = {2019-03-10 21:06:15 +0100},
Journal = {J. Chem. Theory Comput.},
Title = {Quantum Package 2.0: a open-source determinant-driven suite of programs},
Volume = {in press},
Year = {2019}}
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Author = {M. Veril and P. Romaniello and J. A. Berger and P. F. Loos},
Date-Added = {2019-03-10 21:04:59 +0100},
Date-Modified = {2019-03-10 21:04:59 +0100},
Doi = {10.1021/acs.jctc.8b00745},
Journal = {J. Chem. Theory Comput.},
Pages = {5220},
Title = {Unphysical Discontinuities in {{GW}} Methods},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00745}}
@article{Garniron18,
Author = {Y. Garniron and A. Scemama and E. Giner and M. Caffarel and P. F. Loos},
Date-Added = {2019-03-10 21:04:56 +0100},
Date-Modified = {2019-03-10 21:05:47 +0100},
Doi = {10.1063/1.5044503},
Journal = {J. Chem. Phys.},
Pages = {064103},
Title = {Selected Configuration Interaction Dressed by Perturbation},
Volume = {149},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5044503}}
@article{Loos18a,
Author = {P. F. Loos and P. Romaniello and J. A. Berger},
Date-Added = {2019-03-10 21:04:56 +0100},
Date-Modified = {2019-03-10 21:05:22 +0100},
Doi = {10.1021/acs.jctc.8b00260},
Journal = {J. Chem. Theory Comput.},
Pages = {3071},
Title = {Green Functions and Self-Consistency: Insights From the Spherium Model},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.8b00260}}
@article{Loos18b,
Author = {Pierre-Fran{\c{c}}ois Loos and Anthony Scemama and Aymeric Blondel and Yann Garniron and Michel Caffarel and Denis Jacquemin},
Date-Added = {2019-03-10 21:04:56 +0100},
Date-Modified = {2019-03-10 21:05:31 +0100},
Doi = {10.1021/acs.jctc.8b00406},
Journal = {J. Chem. Theory Comput.},
Month = {jul},
Number = {8},
Pages = {4360--4379},
Publisher = {American Chemical Society ({ACS})},
Title = {A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks},
Url = {https://doi.org/10.1021%2Facs.jctc.8b00406},
Volume = {14},
Year = 2018,
Bdsk-Url-1 = {https://doi.org/10.1021%2Facs.jctc.8b00406},
Bdsk-Url-2 = {https://doi.org/10.1021/acs.jctc.8b00406}}
@article{Loos19,
Author = {P. F. Loos and M. Boggio-Pasqua and A. Scemama and M. Caffarel and D. Jacquemin},
Date-Added = {2019-03-10 21:04:56 +0100},
Date-Modified = {2019-03-10 21:05:26 +0100},
Doi = {10.1021/acs.jctc.8b01205},
Journal = {J. Chem. Theory Comput.},
Pages = {in press},
Title = {Reference energies for double excitations},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01205}}
@article{Garniron17b,
Author = {Yann Garniron and Anthony Scemama and Pierre-Fran{\c{c}}ois Loos and Michel Caffarel},
Date-Added = {2019-03-10 21:04:41 +0100},
Date-Modified = {2019-03-10 21:05:44 +0100},
Doi = {10.1063/1.4992127},
Journal = {J. Chem. Phys.},
Month = {jul},
Number = {3},
Pages = {034101},
Publisher = {{AIP} Publishing},
Title = {Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},
Url = {https://doi.org/10.1063%2F1.4992127},
Volume = {147},
Year = 2017,
Bdsk-Url-1 = {https://doi.org/10.1063%2F1.4992127},
Bdsk-Url-2 = {https://doi.org/10.1063/1.4992127}}
@article{PT2,
Author = {Y. Garniron and A. Scemama and P. F. Loos and M. Caffarel.},
Date-Added = {2017-07-21 19:57:06 +0000},
Date-Modified = {2017-07-21 19:57:53 +0000},
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Booktitle = {High Performance Computing for Computational Science - {VECPAR} 2012},
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Date-Modified = {2017-02-28 21:35:26 +0000},
Doi = {10.1007/978-3-642-38718-0_14},
Pages = {118--127},
Publisher = {Springer Science Business Media},
Title = {{{QMC}=Chem: A Quantum Monte Carlo Program for Large-Scale Simulations in Chemistry at the Petascale Level and beyond}},
Url = {http://dx.doi.org/10.1007/978-3-642-38718-0\_14},
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Bdsk-Url-2 = {http://dx.doi.org/10.1007/978-3-642-38718-0_14}}
@misc{qmcchem,
Author = {A. Scemama and E. Giner and T. Applencourt and M. Caffarel},
Date-Added = {2017-02-28 21:27:17 +0000},
Date-Modified = {2017-02-28 21:27:17 +0000},
Note = {https://github.com/scemama/qmcchem},
Title = {QMC=Chem}}
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Booktitle = {Recent Progress in Quantum Monte Carlo},
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Journal = {SIAM Review},
Keywords = {quadrature, maths},
Pages = {67--87},
Volume = {50},
Year = {2008}}
@article{Xiao10,
Author = {H. Xiao and Z. Gimbutas},
Date-Added = {2012-12-14 11:14:57 +1100},
Date-Modified = {2015-06-27 11:29:10 +0000},
Journal = {Comp. Math. Appl.},
Keywords = {quadrature, maths},
Pages = {663--676},
Volume = {59},
Year = {2010}}
@book{StroudBook,
Address = {Englewood Cliffs, New Jersey},
Author = {A. H. Stroud},
Date-Added = {2012-12-14 10:36:10 +1100},
Date-Modified = {2012-12-19 11:04:05 +1100},
Keywords = {quadrature, maths},
Publisher = {Prentice Hall},
Title = {Approximate calculation of multiple integrals},
Year = {1971}}
@article{UEGs12,
Author = {P. M. W. Gill and P. F. Loos},
Date-Added = {2012-12-14 09:43:36 +1100},
Date-Modified = {2015-06-27 11:28:05 +0000},
Journal = {Theor. Chem. Acc.},
Keywords = {Gill, jellium, correlation, spherium},
Pages = {1069},
Volume = {131},
Year = {2012}}