A modified Ehrenfest method that achieves Boltzmann quantum state populations

Chemical Physics Letters

Volumn 417, Issue 1-3, 2006, Pages 53-57

  Bastida, Adolfo ^a   Cruz, Carlos ^a   Zúñiga, José ^a   Requena, Alberto ^a   Miguel, Beatriz ^b  

^a UNIVERSITY OF MURCIA   (Spain)

^b TECHNICAL UNIVERSITY OF CARTAGENA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENERGY TRANSFER; MOLECULAR VIBRATIONS; QUANTUM THEORY; SOLUTIONS; SOLVENTS;

BOLTZMANN QUANTUM STATE POPULATIONS; EHRENFEST METHOD; ENERGY FLUXES; THERMAL BATHS;

PHYSICAL CHEMISTRY;

EID: 29144464768     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.10.008     Document Type: Article

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