Diagrammatic Monte Carlo Study of Realistic Systems

Diagrammatic Monte Carlo (DiagMC), which expands the free energy in terms of Feynman diagram and samples the resulting series stochastically, is a powerful technique in studying correlated many-electron problems. However, the application of the technique in real material calculations is limited by the prohibitive size of the Coulomb interaction tensor.
In this talk we discuss the potential of extending the capability of DiagMC via systematic decomposition of the interaction tensor, which can largely reduce the size of Monte Carlo sampling space. We demonstrate this idea in the case of bold diagrammatic Monte Carlo algorithm and how it can be applied to real materials such as small molecules.