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

First Author: Hine N

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1103/PhysRevB.83.195102

Publication URI: http://dx.doi.org/10.1103/PhysRevB.83.195102

Type: Journal Article/Review

Parent Publication: Physical Review B

Issue: 19