Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interaction

Journal of Chemical Physics

Volumn 135, Issue 9, 2011, Pages

  Iwata, Suehiro ^a  

^a TOYOTA PHYSICAL AND CHEMICAL RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; BASIS SET SUPERPOSITION ERRORS; BASIS SETS; CP-CORRECTED; DISPERSION ENERGIES; DOUBLE EXCITATIONS; ELECTRON CONFIGURATION; HARTREE-FOCK; MODEL SYSTEM; PERTURBATION ENERGY; PERTURBATION THEORY; RARE-GAS DIMER; SINGLE EXCITATION;

DIMERS; DISPERSIONS; HARTREE APPROXIMATION; INERT GASES; MOLECULAR ORBITALS; PERTURBATION TECHNIQUES; RATING;

BINDING ENERGY;

EID: 80052818098     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3629777     Document Type: Article

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