Open AccessCAS without SCF—Why to use CASCI and where to get the orbitals
Author(s) -
Benjamin G. Levine,
Andrew S. Durden,
Michael P. Esch,
Fangchun Liang,
Yinan Shu
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0042147
Subject(s) - complete active space , atomic orbital , excited state , space (punctuation) , computer science , electronic structure , field (mathematics) , fock space , theoretical physics , quantum mechanics , physics , mathematics , pure mathematics , operating system , electron
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