Correlated Gaussians and low-discrepancy sequences

TL;DR

This paper demonstrates that using low-discrepancy sequences instead of pseudo-random sequences improves the quality of Gaussian bases in the Correlated Gaussian Method.

Contribution

It introduces the use of quasi-random sequences for selecting Gaussian basis parameters, enhancing basis quality over traditional pseudo-random methods.

Findings

Low-discrepancy sequences outperform pseudo-random sequences in basis quality.

Quasi-random sequences lead to more efficient and accurate basis function selection.

Improved basis quality enhances the overall performance of the Correlated Gaussian Method.

Abstract

Within the Correlated Gaussian Method the parameters of the Gaussian basis functions are often chosen stochastically using pseudo-random sequences. We show that alternative low-discrepancy sequences, also known as quasi-random sequences, provide bases of better quality.