Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Thomsen, Bo ^a   Hansen, Mikkel Bo ^a   Seidler, Peter ^a   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX RESPONSE; CYCLOPROPENES; FUNCTION OF FREQUENCY; IMAGINARY PARTS; IR SPECTRUM; JACOBIANS; LANCZOS; LANCZOS ALGORITHM; LANCZOS METHODS; LINEAR RESPONSE FUNCTIONS; MATRIX FUNCTIONS; OXAZOLES; RESPONSE EQUATIONS; RESPONSE FUNCTIONS; RESPONSE MATRICES; TRIDIAGONAL; VIBRATIONAL ABSORPTION; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL COUPLED CLUSTERS;

ALGORITHMS; ELECTROMAGNETIC WAVE ABSORPTION; NUMERICAL METHODS; PROPYLENE;

JACOBIAN MATRICES;

EID: 84859527552     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3690065     Document Type: Article

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