Importance of the hybrid orbital operator derivative term for the energy gradient in the fragment molecular orbital method

✍ Scribed by Takeshi Nagata; Dmitri G. Fedorov; Kazuo Kitaura

• Book ID: 108109137
• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 627 KB
• Volume: 492
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/j.cplett.2010.04.043