Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory

Journal of Chemical Physics

Volumn 126, Issue 20, 2007, Pages

  Rappoport, Dmitrij ^a   Furche, Filipp ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FULLERENES; HARMONIC ANALYSIS; LAGRANGE MULTIPLIERS; MOLECULAR ORBITALS; POLARIZATION;

HARMONIC APPROXIMATION; NEGATIVE FREQUENCIES; RAMAN INTENSITIES;

MOLECULAR VIBRATIONS;

EID: 34249905200     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2744026     Document Type: Article

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