The Non-Gaussian Exact Diagonalization Method and Its Application to the 2D Hubbard-Holstein Model

We propose a novel numerical method that embeds the variational non-Gaussian wavefunction approach with exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions. Using a generalized polaron transformation, we construct a variational wavefunction that minimizes the entanglement between electrons and phonons; exact diagonalization is then used to treat the electronic part of the wavefunction exactly, thus taking into account high-order correlation effects beyond the Gaussian level. Keeping the full electronic Hilbert space, the complexity is increased only by a polynomial factor relative to the exact diagonalization calculation for pure electrons. As an example, we use this method to study ground-state properties of the two-dimensional Hubbard-Holstein model, providing evidence for the existence of intervening phases between the spin and charge-ordered states.