## Quantum Monte Carlo Approaches to the Full CI Problem

Ali Alavi

Department of Chemistry, Trinity College, University of Cambridge, Cambridge, Royaume-Uni.

Jeudi 9 Janvier 2014, 15^{h}30

Barre 55/65, 2e étage, salle 11

We will describe a recently developed Quantum Monte Carlo method for solving electronic Schrödinger equations, based on a stochastic sampling of Slater determinant (and, more generally, antisymmetric Hilbert) spaces. The method consists of a population dynamics of positive and negative walkers, that interact via annihilation events. The Fermion sign problem is overcome through a combination of working in Slater determinant space together with walker annihilation. Convergence of the algorithm to the exact ground state solution will be discussed, and in particular how a dramatic acceleration of convergence can be achieved in many systems by introducing "initiators". Applicability of the method to strongly correlated systems, and other challenges, will be briefly discussed.