DIIS
id:
diis-274-2174675
title:
DIIS
text:
DIIS, also known as Pulay mixing, is a technique for extrapolating the solution to a set of linear equations by directly minimizing an error residual with respect to a linear combination of known sample vectors. DIIS was developed by Peter Pulay in the field of computational quantum chemistry with the intent to accelerate and stabilize the convergence of the Hartree–Fock self-consistent field method. At a given iteration, the approach constructs a linear combination of approximate error vectors
brand slug:
wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/DIIS
date created:
date modified:
2022-11-21T11:05:25Z
main entity:
{"identifier":"Q5205116","url":"https://www.wikidata.org/entity/Q5205116"}
image:
fields total:
13
integrity:
13