Juxtaposing density matrix and classical path-based wave packet dynamics

Journal of Chemical Physics

Volumn 136, Issue 21, 2012, Pages

  Aghtar, Mortaza ^a   Liebers, Jörg ^a   Strümpfer, Johan ^b   Schulten, Klaus ^b   Kleinekathöfer, Ulrich ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER PROCESS; DENSITY MATRIX; DENSITY MATRIX APPROACH; EHRENFEST DYNAMICS; ENSEMBLE-AVERAGED; EQUILIBRIUM MOLECULAR DYNAMICS; LONG TIME BEHAVIOR; PARAMETER REGIMES; PATH-BASED; THERMAL FLUCTUATIONS; TRANSPORT PROCESS; WAVE-PACKET DYNAMICS; WAVE-PACKET SIMULATION;

CHARGE TRANSFER; DYNAMICS; ENERGY GAP; MOLECULAR DYNAMICS; QUANTUM THEORY; SOLIDS; SPECTRAL DENSITY;

WAVE PACKETS;

ARTICLE; MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS SIMULATION;

EID: 84862525699     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4723669     Document Type: Article

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