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Polaron dynamics with a multitude of Davydov D2 trial states
2015
Journal of Chemical Physics
We propose an extension to the Davydov D_2 Ansatz in the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the Dirac-Frenkel time-dependent variational principle. The new trial state by the name of the "multi-D_2 Ansatz" is a linear combination of Davydov D_2 trial states, and its validity is carefully examined by quantifying how faithfully it follows the Schrödinger equation. Considerable improvements in accuracy have been
doi:10.1063/1.4923009
pmid:26156471
fatcat:togc6uolqjewbllbabvclr4ja4