Open AccessAccurate multireference configuration interaction calculations on the lowest 1Σ+ and 3Π electronic states of C2, CN+, BN, and BO+
Author(s) -
Kirk A. Peterson
Publication year - 1995
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 - 10.1063/1.469399
Subject(s) - multireference configuration interaction , atomic physics , basis set , excited state , chemistry , bond length , dipole , ground state , bond dissociation energy , configuration interaction , wave function , potential energy , excitation , dissociation (chemistry) , physics , computational chemistry , quantum mechanics , density functional theory , molecule , organic chemistry
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