Crossover from nonadiabatic to adiabatic electron transfer reactions: Multilevel blocking Monte Carlo simulations

Journal of Chemical Physics

Volumn 118, Issue 1, 2003, Pages 179-191

  Muhlbacher L ^a   Egger, R ^b  

^a UNIVERSITY OF FREIBURG   (Germany)

^b HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ELECTRON MOBILITY; ENERGY GAP; HAMILTONIANS; HEAT TRANSFER; INTEGRAL EQUATIONS; MATRIX ALGEBRA; MONTE CARLO METHODS; QUANTUM THEORY;

ELECTRON TRANSFER; MULTILEVEL BLOCKING; PATH INTEGRAL; THERMAL TRANSFER RATE;

CHARGE TRANSFER;

EID: 0037258208     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1523014     Document Type: Article

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67. We consider only α≥1/2. ET dynamics is normally incoherent with respect to electronic motion, while for α<1/2, spin-boson dynamics shows electronic coherence (Ref. 9).