Analytic evaluation of Raman intensities in coupled-cluster theory

Molecular Physics

Volumn 105, Issue 19-22, 2007, Pages 2447-2453

  O'Neill, Darragh P ^a   Kállay, Mihály ^b   Gauss, Jürgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Analytic third derivatives; Coupled cluster theory; Polarizability derivatives; Raman spectroscopy

Indexed keywords

CLUSTER ANALYSIS; EXCITATION ENERGY; POLARIZATION; RAMAN SPECTROSCOPY;

ANALYTIC THIRD DERIVATIVES; CONFIGURATION-INTERACTION METHODS; COUPLED-CLUSTER THEORY; RAMAN INTENSITIES;

COUPLING AGENTS;

EID: 38849162333     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701516412     Document Type: Article

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