Using Kohn - Sham orbitals in symmetry-adapted perturbation theory to investigate intermolecular interactions

Journal of Physical Chemistry A

Volumn 105, Issue 3, 2001, Pages 646-659

  Williams, Hayes L ^a   Chabalowski, Cary F ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARRIER CONCENTRATION; DIMERS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

KOHN-SHAM ORBITALS;

MOLECULAR DYNAMICS;

EID: 0035134013     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003883p     Document Type: Article

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