Accurate ionic forces and geometry optimisation in linear scaling density-functional theory with local orbitals (2011)

First Author: Hine N
Attributed to:  Development of wide-ranging functionality in ONETEP funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1103.5869

Publication URI: https://arxiv.org/abs/1103.5869

Type: Other