Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function
Abstract
We present a method based on the Path Integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function of two one-dimensional model systems, harmonic and quartic oscillators, for which can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function.
Cite
@article{arxiv.1503.01399,
title = {Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function},
author = {Riccardo Rota and Joaquim Casulleras and Ferran Mazzanti and Jordi Boronat},
journal= {arXiv preprint arXiv:1503.01399},
year = {2015}
}
Comments
Accepted for publication on "Jornal of Chemical Physics"