Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory (2017)

First Author: Hirakawa T
Attributed to:  Si(110): (16x2) Reconstruction and Adatom Diffusion funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1088/1361-648x/aa810d

PubMed Identifier: 28726683

Publication URI: http://europepmc.org/abstract/MED/28726683

Type: Journal Article/Review

Parent Publication: Journal of Physics: Condensed Matter

Issue: 40

ISSN: 0953-8984