Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum

Journal of Chemical Physics

Volumn 121, Issue 8, 2004, Pages 3563-3568

  Shalashilin, Dmitrii V ^a   Child, Mark S ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

POTANTIAL ENERGY SURFACES (PES); PYRAZINES; QUANTUM MECHANICAL COUPLINGS; QUANTUM SIMULATION;

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); HAMILTONIANS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; NITROGEN COMPOUNDS; POTENTIAL ENERGY; PROBLEM SOLVING; QUANTUM THEORY;

MOLECULAR DYNAMICS;

EID: 4444269174     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1776111     Document Type: Article

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