Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation
نویسندگان
چکیده
منابع مشابه
Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation.
Powerful approximate methods for propagating the density matrix of complex systems that are conveniently described in terms of electronic subsystem states and nuclear degrees of freedom have recently been developed that involve linearizing the density matrix propagator in the difference between the forward and backward paths of the nuclear degrees of freedom while keeping the interference effec...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4748316