Per, Manolo
Title: Efficient calculation of unbiased estimates in diffusion quantum Monte Carlo
Author: Manolo Per
Affiliation: Applied Physics, School of Applied Science, RMIT University, Melbourne, Australia
Abstract:
The diffusion quantum Monte Carlo (DQMC) method is a powerful and relatively straightforward technique for calculating quantum mechanical properties of a wide variety of systems at zero temperature. However, expectation values of operators which do not commute with the Hamiltonian exhibit large variances and a systematic bias. Individual solutions to these problems exist but are mutually incompatible. In this talk I will describe a new approach which enables efficient calculation of unbiased estimates in DQMC.
Author: Manolo Per
Affiliation: Applied Physics, School of Applied Science, RMIT University, Melbourne, Australia
Abstract:
The diffusion quantum Monte Carlo (DQMC) method is a powerful and relatively straightforward technique for calculating quantum mechanical properties of a wide variety of systems at zero temperature. However, expectation values of operators which do not commute with the Hamiltonian exhibit large variances and a systematic bias. Individual solutions to these problems exist but are mutually incompatible. In this talk I will describe a new approach which enables efficient calculation of unbiased estimates in DQMC.