Permanent dipole moments and energies of excited states from density functional theory compared with coupled cluster predictions: Case of para-nitroaniline

Computational and Theoretical Chemistry

Volumn 1019, Issue 1, 2013, Pages 23-32

  Mikhailov, Ivan A ^a   Musiał, Monika ^b   Masunov, Artëm E ^a  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

^b UNIVERSITY OF SILESIA   (Poland)

Author keywords

Delta SCF; Density Functional Theory; Dipole moment; Excitation energies; Excited states; Para nitroaniline

Indexed keywords

EID: 84880680395     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.06.032     Document Type: Article

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