A second-order Kubo response theory-centroid approach to vibrational energy relaxation for single-mode excitations

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11277-11283

  Poulsen, Jens Aage ^a   Nyman, Gunnar ^a   Rossky, Peter J ^b  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTRAMOLECULAR VIBRATIONAL COUPLING; PATH INTEGRAL CENTROID SECOND ORDER CORRELATION FUNCTION; SECOND ORDER KUBO TRANSFORMED CORRELATION FUNCTION; SINGLE MODE EXCITATIONS; VIBRATIONAL ENENRGY RELAXATION PROCESSES;

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; FOURIER TRANSFORMS; GROUND STATE; HAMILTONIANS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; POLYNOMIALS;

RELAXATION PROCESSES;

EID: 0037461507     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1522376     Document Type: Article

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