First excited state calculation using different phonon bases for the two-site Holstein model

Abstract

The single-electron energy and static charge-lattice deformation correlations have been calculated for the first excited state of a two-site Holstein model within perturbative expansions using different standard phonon bases obtained through Lang-Firsov (LF) transformation, LF with squeezed phonon states, modified LF, modified LF transformation with squeezed phonon states, and also within weak-coupling perturbation approach. Comparisons of the convergence of the perturbative expansions for different phonon bases reveal that modified LF approach works much better than other approaches for major range of the coupling strength.