Calculation of the script A sign term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation

Journal of Chemical Physics

Volumn 120, Issue 23, 2004, Pages 10942-10954

  Seth, Michael ^a   Ziegler, Tom ^a   Banerjee, Arup ^b   Autschbach, Jochen ^c   Van Gisbergen, Stan J A ^d   Baerends, Evert J ^d  

^a UNIVERSITY OF CALGARY   (Canada)

^b RAJA RAMANNA CENTRE FOR ADVANCED TECHNOLOGY   (India)

^c UNIVERSITY AT BUFFALO   (United States)

^d VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

MAGNETIC CIRCULAR DICHROISM (MCD); MAGNETIC OPTICAL ROTATION (MOR); VERDET CONSTANT;

AROMATIC COMPOUNDS; COMPUTER SIMULATION; MAGNETIC MOMENTS; MATHEMATICAL MODELS; NEGATIVE IONS; POSITION CONTROL; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS;

MAGNETIZATION;

EID: 3042553642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1747828     Document Type: Article

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