화학공학소재연구정보센터
Journal of Chemical Physics, Vol.110, No.13, 6143-6153, 1999
Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state
We propose a new method to calculate ground state position dependent observables in quantum many-body systems. The method, which we call the path-integral diffusion Monte Carlo (PI-DMC) method, is essentially a combination of path-integral Monte Carlo (PIMC) and diffusion Monte Carlo (DMC) methods. The distribution resulting from a DMC simulation is further propagated in imaginary time by PIMC sampling. Tests of the new method for simple cases such as the harmonic oscillator, a double well, and a set of ten coupled harmonic oscillators show that the results for several observables converge rapidly to the exact result.