Open AccessThe XΣg+1, BΔg1, and B′Σg+1 states of C2: A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks
Author(s) -
C. David Sherrill,
Piotr Piecuch
Publication year - 2005
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 - 10.1063/1.1867379
Subject(s) - coupled cluster , multireference configuration interaction , full configuration interaction , complete active space , basis set , perturbation theory (quantum mechanics) , configuration interaction , potential energy , excited state , chemistry , electronic structure , excited electronic state , singlet state , atomic physics , physics , computational chemistry , quantum mechanics , molecule , density functional theory
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