Validity of time-dependent trial states for the Holstein Polaron

Validity of three time-dependent trial states for the Holstein Hamiltonian, namely, the D2, Merrifield and D Ansatze has been examined in detail with regards to their deviations from the exact solution to the time-dependent Schrodinger equation. Linear absorption spectra are also calculated as an a...

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Bibliographic Details
Main Authors: Luo, Bin, Ye, Jun, Guan, Chengbo, Zhao, Yang
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2010
Subjects:
Online Access:https://hdl.handle.net/10356/91334
http://hdl.handle.net/10220/6304
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Institution: Nanyang Technological University
Language: English
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Summary:Validity of three time-dependent trial states for the Holstein Hamiltonian, namely, the D2, Merrifield and D Ansatze has been examined in detail with regards to their deviations from the exact solution to the time-dependent Schrodinger equation. Linear absorption spectra are also calculated as an additional indicator of the Ansatz validity. It is found that the D Ansatz is the most accurate trial state of the three, and all Ansatze fail to provide an adequate description of system dynamics in the weak-coupling regime.