Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives

✍ Scribed by Benny G. Johnson; Michael J. Frisch

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 738 KB
• Volume: 216
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)e1238-c