Absolutely local excited orbitals in the higher order perturbation expansion for the molecular interaction

Journal of Physical Chemistry B

Volumn 112, Issue 50, 2008, Pages 16104-16109

  Iwata, Suehiro ^a,b  

^a HIROSHIMA UNIVERSITY   (Japan)

^b TOYOTA PHYSICAL AND CHEMICAL RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE NETWORKS; BINDING ENERGY; CHEMICAL BONDS; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

BASIS SET SUPERPOSITION ERRORS; BASIS SETS; FOURTH ORDERS; HF CALCULATIONS; HIGHER ORDERS; INTERACTION ENERGIES; MO CALCULATIONS; PERTURBATION CORRECTIONS; PERTURBATION EXPANSIONS; SINGLE EXCITATIONS; SUPERMOLECULE; THIRD ORDERS;

FLOW INTERACTIONS;

EID: 58149242674     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805883c     Document Type: Article

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