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

✍ Scribed by Hine, Nicholas; Robinson, Mark; Haynes, Peter; Skylaris, Chris-Kriton; Payne, Mike; Mostofi, Arash

• Book ID: 115442999
• Publisher: The American Physical Society
• Year: 2011
• Tongue: English
• Weight: 474 KB
• Volume: 83
• Category: Article
• ISSN: 1098-0121
• DOI: 10.1103/physrevb.83.195102