Polaron dynamics with a multitude of Davydov D2 trial states

• Main Authors: Zhou, Nengji, Huang, Zhongkai, Zhu, Jiangfeng, Chernyak, Vladimir, Zhao, Yang
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2015
• Subjects: Phonons; Polarons; Wave functions; Absorption spectra; Lagrangian mechanics
• Online Access: https://hdl.handle.net/10356/79341; http://hdl.handle.net/10220/38828
• Institution: Nanyang Technological University

We propose an extension to the Davydov D2 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-D2 Ansatz” is a linear com...