Dynamic correlations with time dependent quantum Monte Carlo
Ivan P. Christov

TL;DR
This paper introduces an improved time-dependent quantum Monte Carlo method that incorporates nonlocal quantum correlations using an effective potential, validated on a 1D Helium atom in laser fields.
Contribution
It presents a novel correction within quantum Monte Carlo to include nonlocal correlations, enhancing accuracy in quantum many-body simulations.
Findings
Accurately predicts atomic ionization in 1D Helium model
Demonstrates good agreement with exact results
Uses adaptive kernel density estimation for correlation length
Abstract
In this paper, we solve quantum many-body problem by propagating ensembles of trajectories and guiding waves in physical space. We introduce the 'effective potential' correction within the recently proposed time-dependent quantum Monte Carlo methodology to incorporate the nonlocal quantum correlation effects between the electrons. The associated correlation length is calculated by adaptive kernel density estimation over the walker distribution. The general formalism is developed and tested on one-dimensional Helium atom in laser field of different intensity and carrier frequency. Good agreement with exact results for the atomic ionization is obtained.
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Taxonomy
TopicsAdvanced Thermodynamics and Statistical Mechanics · Spectroscopy and Quantum Chemical Studies · Advanced Chemical Physics Studies
