Self-consistent basis generation scheme for polaron and bipolaron systems

Abstract

We have developed a self-consistent scheme of generating variational basis based on the exact diagonalization, which can be applied efficiently to various types of electron-phonon systems. This scheme is quite general and brings down the size of the variational space by an order of magnitude or even more in some cases to reproduce the most precise ground state energies and correlation functions available in the literature. This method has enormous potential for application to systems with more electrons or in higher dimensions, which are still beyond the reach of exact diagonalization just because of the sheer size of their variational space needed to get reasonably convergent results.