Open AccessCASSCF linear response calculations for large open-shell molecules
Author(s) -
Benjamin HelmichParis
Publication year - 2019
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5092613
Subject(s) - complete active space , hamiltonian (control theory) , eigenvalues and eigenvectors , chemistry , absorption spectroscopy , spectral line , hermitian matrix , electronic structure , quantum mechanics , random phase approximation , computational chemistry , molecular physics , physics , atomic physics , molecular orbital , molecule , mathematics , mathematical optimization
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