Validity of time-dependent trial states for the Holstein polaron

Literature Information

Publication Date 2010-10-18
DOI 10.1039/C0CP00663G
Impact Factor 3.676
Authors

Bin Luo, Jun Ye, Chengbo Guan, Yang Zhao


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Abstract

Validity of three time-dependent trial states of the Holstein Hamiltonian, namely the D2, Merrifield and Ansätze has been examined in detail with regards to their deviations from the exact solution to the time-dependent Schrödinger equation. Linear absorption spectra are also calculated as an additional indicator of the Ansatz validity. It is found that the Ansatz is the most accurate trial state of the three, and all Ansätze fail to provide an adequate description of system dynamics in the weak-coupling regime.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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