Calculations of small molecules using the Highly Accurate N-DEterminant (HANDE) quantum Monte Carlo software package

We use calculations of small molecules and the uniform electron gas to illustrate the capability of HANDE, a open-source software package that calculates stochastic estimates for high accuracy quantum chemistry methods. We choose to focus on full configuration interaction and its finite temperature variant, density matrix quantum Monte Carlo. We describe how strong correlation and other phenomena manifest in the context of this and the initiator approximation to these methods.