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1 Ergebnisse
1
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
Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
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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