AB-INITIO CALCULATION OF 1ST ORDER TERM OF INTERMOLECULAR ENERGY NEAR VANDERWAALS MINIMUM - COMPARISON BETWEEN A PERTURBATIVE METHOD AND SCF SUPERMOLECULE TREATMENT IN CASES OF H2+H2 AND LI++H2
被引:24
作者:
KOCHANSKI, E
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机构:UNIV LOUIS PASTEUR, CNRS 139, INST LE BEL, F-67008 STRASBOURG, FRANCE
KOCHANSKI, E
GOUYET, JF
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机构:UNIV LOUIS PASTEUR, CNRS 139, INST LE BEL, F-67008 STRASBOURG, FRANCE
GOUYET, JF
机构:
[1] UNIV LOUIS PASTEUR, CNRS 139, INST LE BEL, F-67008 STRASBOURG, FRANCE
[2] ECOLE POLYTECH, GRP PHYS MOLEC, 17 RUE DESCARTES, 75230 PARIS, FRANCE