Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

Journal of Chemical Physics

Volumn 137, Issue 16, 2012, Pages

  Hapka, Michał ^a   Zuchowski, Piotr S ^b   Szczȩśniak, Małgorzata M ^c   Chaasiski, Grzegorz ^a  

^a UNIVERSITY OF WARSAW   (Poland)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^c OAKLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; MOLECULAR PHYSICS; PERTURBATION TECHNIQUES; SHELLS (STRUCTURES); TRANSITION METALS; VAN DER WAALS FORCES;

EFFECTIVE CORE POTENTIAL; INTERACTION ENERGIES; KOHN-SHAM ORBITALS; SPIN-UNRESTRICTED; SYMMETRY ADAPTED PERTURBATION THEORY; TRANSITION-METAL DIMERS; UNRESTRICTED HARTREE-FOCK; VAN DER WAALS COMPLEX;

DENSITY FUNCTIONAL THEORY;

EID: 84868362064     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4758455     Document Type: Article

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