Open AccessA Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction
Author(s) -
Alessandro Gei,
Kenneth M. Merz,
Maurizio Sironi
Publication year - 2008
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 - 10.1063/1.2961015
Subject(s) - wave function , atomic orbital , molecular orbital , reduction (mathematics) , physics , computer science , quantum mechanics , molecule , mathematics , electron , geometry
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