Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-born-oppenheimer trajectories

Journal of Chemical Physics

Volumn 121, Issue 16, 2004, Pages 7658-7670

  Zhu, Chaoyuan ^a   Nangia, Shikha ^a   Jasper, Ahren W ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COHERENT SWITCHING WITH DECAY OF MIXING (CSDM); SELF-CONSISTENT DECAY-OF-MIXING (SCDM); TRAJECTORY SURFACE HOPPING (TSH); TULLY'S FEWEST SWITCHES (TFS);

ALGORITHMS; COMPUTER SIMULATION; MATRIX ALGEBRA; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY; SURFACE PHENOMENA; SWITCHES; SWITCHING; TRAJECTORIES;

QUANTUM THEORY;

EID: 8444240480     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1793991     Document Type: Article

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