Energy decomposition scheme based on the generalized Kohn-Sham scheme

Journal of Physical Chemistry A

Volumn 118, Issue 13, 2014, Pages 2531-2542

  Su, Peifeng ^a   Jiang, Zhen ^a   Chen, Zuochang ^a   Wu, Wei ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONDENSED PHASIS; CORRELATION ENERGY; DISPERSION CORRECTION; ENERGY DECOMPOSITION; KOHN-SHAM SCHEME; LOCALIZED MOLECULAR ORBITALS; LONG-RANGE CORRECTIONS; METAL-LIGAND INTERACTIONS;

HYDROGEN BONDS; MOLECULAR ORBITALS;

VAN DER WAALS FORCES;

EID: 84898068291     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp500405s     Document Type: Article

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