Iterative stochastic subspace self-consistent field method
Chemical Physics
2021-08-04 v3 Other Condensed Matter
Strongly Correlated Electrons
Abstract
We propose a new self-consistent field (SCF) algorithm based on an iterative, partially stochastic \textit{``Divide \& Conquer''}-type approach. This new SCF algorithm is a simple variant of the usual SCF procedure and can be easily implemented in parallel. A detailed description of the algorithm is reported. We illustrate this new method on one-dimensional hydrogen chains and three-dimensional hydrogen clusters.
Cite
@article{arxiv.1310.1146,
title = {Iterative stochastic subspace self-consistent field method},
author = {Pierre-François Loos and Jean-Louis Rivail and Xavier Assfeld},
journal= {arXiv preprint arXiv:1310.1146},
year = {2021}
}
Comments
7 pages, 6 figures and 1 table