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Singular limit in the optimized effective potential with finite basis sets
Singular limit optimized effective potential finite basis sets
2011/8/19
Abstract: Most finite-basis set implementations of the optimized effective potential (OEP) method leave the potential undetermined, when the auxiliary basis set for the potential is sufficiently large...
Non-Markovian Second-Order Quantum Master Equation and Its Markovian Limit: Electronic Energy Transfer in Model Photosynthetic Systems
Non-Markovian Second-Order Quantum Master Equation Electronic Energy Transfer
2011/9/9
A direct numerical algorithm for solving the time-nonlocal non-Markovian master equation in the second Born approximation is introduced and the range of utility of this approximation, and of the Marko...
Fourth-order quantum master equation and its Markovian bath limit
Fourth-order quantum master equation Markovian bath limit
2014/9/24
Fourth-order quantum master equations~FQMEs!are derived in both time nonlocal and local forms for a general system Hamiltonian, with new detailed expressions for the fourth-order kernel, where the bat...
A unified framework for quantum activated rate processes. II. The nonadiabatic limit
A unified framework quantum activated rate The non adiabatic limit
2014/9/24
A recently proposed unified theoretical framework for quantum activated rate constants is further developed and explored. The case of electronically nonadiabatic rate processes is considered, and the ...