Open AccessFirst principles calculation of the potential energy surface for the lowest-quartet state of H3 and modelling by the double many-body expansion method
Author(s) -
Paulo E. Abreu,
A. J. C. Varandas
Publication year - 2000
Publication title -
physical chemistry chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.053
H-Index - 239
eISSN - 1463-9084
pISSN - 1463-9076
DOI - 10.1039/b000464m
Subject(s) - potential energy surface , potential energy , configuration interaction , ground state , atomic physics , basis set , chemistry , gaussian , surface (topology) , energy (signal processing) , hartree–fock method , ab initio , physics , computational chemistry , quantum mechanics , mathematics , excited state , geometry , density functional theory
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