Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping.
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Simple Quantum Dynamics with Thermalization.Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping.Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system.Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein.
P2860
Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping.
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2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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Communication: Proper treatmen ...... ed balance in surface hopping.
@en
Communication: Proper treatmen ...... ed balance in surface hopping.
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type
label
Communication: Proper treatmen ...... ed balance in surface hopping.
@en
Communication: Proper treatmen ...... ed balance in surface hopping.
@nl
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Communication: Proper treatmen ...... ed balance in surface hopping.
@en
Communication: Proper treatmen ...... ed balance in surface hopping.
@nl
P2093
P2860
P356
P1476
Communication: Proper treatmen ...... ed balance in surface hopping.
@en
P2093
Andrew E Sifain
Linjun Wang
Oleg V Prezhdo
P2860
P304
P356
10.1063/1.4953444
P407
P577
2016-06-01T00:00:00Z