Iterative stochastic subspace self-consistent field method

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.

7 pages, 6 figures and 1 table

References in corpus (2)

• Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study
• Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals