Electron-Pair Densities with Time-Dependent Quantum Monte Carlo

Time-dependent quantum Monte Carlo and the stochastic quantization.

We examine the relation between the recently proposed time-dependent quantum Monte Carlo (TDQMC) method and the principles of stochastic quantization. In both TDQMC and stochastic quantization, particle motion obeys stochastic guidance equations to preserve quantum equilibrium. In this way the probability density of the Monte Carlo particles corresponds to the modulus square of the many-body wa...

Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei.

The computational performance of two different variational quantum Monte Carlo estimators for both the electron and spin densities on top of nuclei are tested on a set of atomic systems containing also third-row species. Complications due to an unbounded variance present for both estimators are circumvented using appropriate sampling strategies. Our extension of a recently proposed estimator [P...

One-electron bands, quantum Monte Carlo, and real superconductors

We use the doped Fullerenes as an example of how realistic systems can be described by simple models. Starting from the band structure we set up a tight-binding model that describes the t1u conduction band. Adding correlation terms we arrive at a generalized Hubbard Hamiltonian that we treat using quantum Monte Carlo. To address the problem of superconductivity in the doped Fullerenes, we study...

Quantum Monte Carlo Methods for Strongly Correlated Electron Systems

We review some of the recent development in quantumMonte Carlo (QMC) methods for models of strongly correlated electron systems. QMC is a promising general theoretical tool to study many-body systems, and has been widely applied in areas spanning condensed-matter, highenergy, and nuclear physics. Recent progress has included two new methods, the ground-state and finite-temperature constrained p...

15 Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems