Speaker: Tapio Rantala
Title:
"Feynman path integral approaches to electronic structure calculations”
Abstract:
Feynman path integral approach to quantum mechanics and Monte Carlo simulations allow straightforward study of quantum many-body systems. Evolution of a quantum system in imaginary time (DMC, PIMC) can be used to find eigenstates or simulate thermal equilibrium, for example. Evolution in real time (RTPI), on the other hand, leads to conventional coherent quantum dynamics, but turns out to be numerically more challenging.
I will present these formalisms, numerical approaches and some of their variants, and also, applications to quantum chemistry and physics with some examples. The related ”sign problems” as challenges will be discussed.