Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes

Journal of Chemical Physics

Volumn 128, Issue 6, 2008, Pages

  Hasegawa, Taisuke ^a   Tanimura, Yoshitaka ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BROWNIAN MOVEMENT; EXCITATION ENERGY; INFRARED SPECTROSCOPY; LINEWIDTH; MOLECULAR DYNAMICS; NONLINEAR ANALYSIS;

INTERMOLECULAR LIBRATIONAL SPECTRA; NONEQUILIBRIUM MD (NEMD); NONLINEAR RESPONSE FUNCTIONS;

MOLECULAR VIBRATIONS;

EID: 39349108948     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2828189     Document Type: Article

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