Relations between DFT and CI approximation

✍ Scribed by L. Künne

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 230 KB
• Volume: 74
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1999)74:1<55::aid-qua6>3.0.co;2-l

✦ Synopsis

Relations between the two quantum chemical methods density functional Ž . Ž . theory DFT and configuration interaction CI are studied. As a result a new expression of the density functional based on CI approximation is presented.