Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals (2011)
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.83.195102
Publication URI: http://dx.doi.org/10.1103/physrevb.83.195102
Type: Journal Article/Review
Parent Publication: Physical Review B
Issue: 19