Open AccessBenchmark full configuration-interaction calculations on H2O, F, and F−
Author(s) -
Charles W. Bauschlicher,
Peter R. Taylor
Publication year - 1986
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.451034
Subject(s) - configuration interaction , wave function , electronic correlation , atomic physics , full configuration interaction , benchmark (surveying) , chemistry , function (biology) , basis (linear algebra) , bond length , physics , computational chemistry , electron , molecular physics , mathematics , quantum mechanics , geometry , molecule , excited state , geodesy , evolutionary biology , biology , geography
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