Validity of time-dependent trial states for the Holstein polaron.
Validity of three time-dependent trial states of the Holstein Hamiltonian, namely the D(2), Merrifield and D 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 D 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.
School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798.
Bin
B
Luo
Jun
J
Ye
Chengbo
C
Guan
Yang
Y
Zhao