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Coupling Natural Orbital Functional Theory and Many-Body Pe..:

Mauricio Rodríguez-Mayorga (6919046) ; Ion Mitxelena (11734974) ; Fabien Bruneval (2354038).
https://figshare.com/articles/dataset/Coupling_Natural_Orbital_Functional_Theory_and_Many-Body_Perturbation_Theory_by_Using_Nondynamically_Correlated_Canonical_Orbitals/17057772. , 2021

Link: https://doi.org/10.1021/acs.jctc.1c00858.s002

RT Journal
T1 <Title>Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_17057772&Exemplar=1&LAN=DE
				
A1 Mauricio Rodríguez-Mayorga (6919046)
A1 Ion Mitxelena (11734974)
A1 Fabien Bruneval (2354038)
A1 Mario Piris (2054899)
YR 2021
K1 Biophysics
K1 Physiology
K1 Biotechnology
K1 Ecology
K1 Mathematical Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 results obtained using
K1 numerical tests reveal
K1 multiplet spin states
K1 electronic structure methods
K1 cluster singles doubles
K1 canonicalization procedure applied
K1 body perturbation theory
K1 nondynamic correlation effects
K1 based correction reduces
K1 based correction improves
K1 mp2 )
K1 random
K1 mp2 correction
K1 electron correlation
K1 mp2 case
K1 corrections based
K1 rpa )
K1 phase approximation
K1 new family
K1 natural orbitals
K1 gain access
K1 computational cost
K1 >< sub
JF https://figshare.com/articles/dataset/Coupling_Natural_Orbital_Functional_Theory_and_Many-Body_Perturbation_Theory_by_Using_Nondynamically_Correlated_Canonical_Orbitals/17057772
LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00858.s002
DO https://doi.org/10.1021/acs.jctc.1c00858.s002
SF ELIB - SuUB Bremen

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