Efficient partitioning technique for computing the dynamics of intramolecular processes: Radiationless transitions in pyrazine

Journal of Chemical Physics

Volumn 124, Issue 18, 2006, Pages

  Christopher, P S ^a,b   Shapiro, Moshe ^c,d   Brumer, Paul ^a,b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^d WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; HAMILTONIANS; HYDROGEN INORGANIC COMPOUNDS; QUANTUM THEORY; RADIATION;

INTRAMOLECULAR PROCESSES; PYRAZINE; QP PARTITIONING ALGORITHMS; RADIATIONLESS TRANSITIONS;

MOLECULAR DYNAMICS;

EID: 34547237005     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2196888     Document Type: Article

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