Calculation of molecular g-tensors using the zeroth-order regular approximation and density functional theory: Expectation value versus linear response approaches

Theoretical Chemistry Accounts

Volumn 129, Issue 3-5, 2011, Pages 453-466

  Autschbach, Jochen ^a   Pritchard, Benjamin ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

Density functional theory; Electron paramagnetic resonance; Paramagnetic NMR; Relativistic effects

Indexed keywords

EID: 79955937201     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0880-x     Document Type: Article

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