Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization

✍ Scribed by Teruo Atsumi; Hiromi Nakai

• Book ID: 108109100
• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 456 KB
• Volume: 490
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/j.cplett.2010.03.012