Absolutely local occupied and excited molecular orbitals in the third-order single excitation perturbation theory for molecular interaction

Journal of Physical Chemistry A

Volumn 114, Issue 33, 2010, Pages 8697-8704

  Iwata, Suehiro ^a  

^a TOYOTA PHYSICAL AND CHEMICAL RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; BASIS SETS; DIFFUSE FUNCTIONS; ENERGY CONTRIBUTION; HARTREE-FOCK CALCULATIONS; HARTREE-FOCK LEVELS; INTERACTION ENERGIES; MOLECULAR INTERACTION ENERGY; PERTURBATION THEORY; SINGLE EXCITATION; SMALL SIZE; SUPER MOLECULES; THIRD-ORDER;

ACTIVE NETWORKS; CHARGE TRANSFER; CHEMICAL BONDS; MOLECULAR INTERACTIONS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; RATING;

PERTURBATION TECHNIQUES;

EID: 79959704132     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101483t     Document Type: Article

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