On transition rates in surface hopping

Journal of Chemical Physics

Volumn 137, Issue 23, 2012, Pages

  Escartin J M ^a   Romaniello, P ^a,b   Stella, L ^b,c,d   Reinhard, P G ^e   Suraud, E ^a  

^a CNRS   (France)

^b European Theoretical Spectroscopy Facility ETSF   (Spain)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

^e UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AVOIDED CROSSINGS; CLASSICAL LIMITS; ELECTRON-NUCLEAR DYNAMICS; ELECTRONIC TRANSITION; GAUSSIAN WAVE PACKETS; HOPPING PROBABILITY; HOPPING PROCESS; LANDAU-ZENER MODELS; LEVEL CROSSING; NON-ADIABATIC COUPLING; NONADIABATIC MOLECULAR DYNAMICS; QUANTUM-CLASSICAL; RESCALING; STILL MISSING; SURFACE HOPPING; THEORETICAL BASIS; TOTAL ENERGY; TRAJECTORY SURFACE HOPPING; TRANSITION RATES;

ALGORITHMS;

MOLECULAR DYNAMICS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; ELECTRON; MOLECULAR DYNAMICS; PHASE TRANSITION; QUANTUM THEORY; SURFACE PROPERTY;

ALGORITHMS; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; PHASE TRANSITION; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 84871963051     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4770280     Document Type: Article

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