Phase-space averaging and natural branching of nuclear paths for nonadiabatic electron wavepacket dynamics

Journal of Chemical Physics

Volumn 129, Issue 13, 2008, Pages

  Yonehara, Takehiro ^a   Takatsuka, Kazuo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STATES; EQUATIONS OF MOTION; EXCITED STATES; LITHIUM COMPOUNDS; MIXING; MOLECULAR PHYSICS; PHASE SPACE METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; WAVE PACKETS;

AB INITIO CALCULATIONS; ADIABATIC POTENTIAL ENERGY SURFACE; CLASSICAL TRAJECTORIES; ELECTRON WAVE PACKET; HAMILTON CANONICAL EQUATION; NON-ADIABATIC COUPLING; RIGOROUS SOLUTION; THREE-STATE SYSTEMS;

QUANTUM ENTANGLEMENT;

EID: 53449083306     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2987302     Document Type: Article

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