Linear-scaling DFT + U with full local orbital optimization (2012)

First Author: O'Regan D
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/10.1103/physrevb.85.085107

Publication URI: http://dx.doi.org/10.1103/physrevb.85.085107

Type: Journal Article/Review

Parent Publication: Physical Review B

Issue: 8