Invariance of inner shell correlation energy with geometry changes in a polyatomic molecule

✍ Scribed by A. Pipano; R.R. Gilman; I. Shavitt

• Book ID: 103010944
• Publisher: Elsevier Science
• Year: 1970
• Tongue: English
• Weight: 249 KB
• Volume: 5
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(70)85141-7

✦ Synopsis

Configuration interaction calculations

for ammonia have been made both with and without escitatioh of the inner-shell electrons. The rcsuits confirm the invariance of inner-shell correlation energy as honci lengths and angles are varied, including the case of complete dissociaiion of the moiecule.