Ab initio and DFT studies for accurate description of van der Waals interaction between rare-gas atoms

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 355-362

  Kurita, Noriyuki ^a   Sekino, Hideo ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

Author keywords

Ab initio studies; DFT studies; Rare gas atoms; Van der Waals interaction

Indexed keywords

BINDING ENERGY; CALCULATIONS; INERT GASES; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; VAN DER WAALS FORCES;

BECKE THREE PARAMETER EXCHANGE FUNCTIONAL; DENSITY FUNCTIONAL THEORY; EXCHANGE CORRELATION FUNCTIONAL; GRADIENT CORRECTED FUNCTIONAL; RARE GAS ATOMS;

ATOMIC PHYSICS;

EID: 0037454917     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10394     Document Type: Article

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