Open AccessThe electronic structure of oxo-Mn(salen): Single-reference and multireference approaches
Author(s) -
John S. Sears,
C. David Sherrill
Publication year - 2006
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 - 10.1063/1.2187974
Subject(s) - singlet state , complete active space , chemistry , wave function , basis set , hartree–fock method , electronic structure , atomic physics , multireference configuration interaction , spin states , density functional theory , fock space , triplet state , configuration interaction , computational chemistry , physics , quantum mechanics , excited state
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