Application of magnetically-perturbed time-dependent density functional theory to magnetic circular dichroism. IV. the influence of zero-field splitting on the spectra of S > 1/2 molecules

Chemical Physics

Volumn 395, Issue 1, 2012, Pages 63-74

  Seth, Michael ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

Density functional theory; Magnetic circular dichroism; Time dependent density functional theory; Zero field splitting

Indexed keywords

EID: 84857055192     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.06.016     Document Type: Conference Paper

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