Helium-fullerene pair interactions: An ab initio study by perturbation theory and coupled cluster methods

International Journal of Quantum Chemistry

Volumn 111, Issue 2, 2011, Pages 416-429

  Varandas, A J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

basis set extrapolation; electronic structure calculations; helium fullerene interactions

Indexed keywords

AB INITIO STUDY; BASIS SET EXTRAPOLATION; BASIS SETS; BORN-OPPENHEIMER APPROXIMATION; C ATOMS; COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER SINGLES AND DOUBLES; ELECTRONIC STRUCTURE CALCULATIONS; EMPIRICAL DATA; INTERACTION POTENTIALS; PAIR INTERACTIONS; PERTURBATION THEORY; PLESSET PERTURBATION THEORY; VAN DER WAALS; WELL DEPTH;

APPROXIMATION THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EXTRAPOLATION; FULLERENES; HELIUM; NUMERICAL METHODS; OLIGOMERS; VAN DER WAALS FORCES;

PERTURBATION TECHNIQUES;

EID: 78649696101     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22749     Document Type: Article

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