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Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
Author(s):
Yann Garniron
1
,
Anthony Scemama
1
,
Pierre-François Loos
1
,
Michel Caffarel
1
Publication date
Created:
July 21 2017
Publication date
(Print):
July 21 2017
Journal:
The Journal of Chemical Physics
Publisher:
AIP Publishing
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Numerical Algebra, Matrix Theory, Differential-Algebraic Equations, and Control Theory
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34
Record
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A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Peter R. Taylor
,
Per Si≐gbahn
,
Björn O. Roos
(1980)
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Second‐order perturbation theory with a complete active space self‐consistent field reference function
Kerstin Andersson
,
Per-Åke Malmqvist
,
Björn O. Roos
(1992)
0
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Second-order perturbation theory with a CASSCF reference function
Bjoern Roos
,
Kerstin Andersson
,
Per Malmqvist
…
(1990)
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Author and article information
Journal
Title:
The Journal of Chemical Physics
Abbreviated Title:
The Journal of Chemical Physics
Publisher:
AIP Publishing
ISSN (Print):
0021-9606
ISSN (Electronic):
1089-7690
Publication date Created:
July 21 2017
Publication date (Print):
July 21 2017
Volume
: 147
Issue
: 3
Page
: 034101
Affiliations
[
1
]
Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, Toulouse, France
Article
DOI:
10.1063/1.4992127
PubMed ID:
28734281
SO-VID:
ea0d7364-e77e-4c35-bf42-05aee371025e
Copyright ©
© 2017
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