Progress towards finite temperature density matrix quantum Monte Carlo calculations on solids

There has been a recent surge in interest in finite temperature calculations on molecules driven by methods such as FCI, CC, MP2, and AFQMC. By means of a follow-up to recent work on the uniform electron gas, we here present density matrix quantum Monte Carlo (DMQMC) calculations on molecular Hamiltonians. We compare and contrast molecular diatomics with the electron gas to make comment on the scope for performing periodic calculations with DMQMC. We also describe how DMQMC can contribute to the study of finite temperature ab initio Hamiltonians with other methods.