Double-exchange contributions to the first-order interaction energy between closed-shell molecules

✍ Scribed by Jeanne G.C.M. Van duijneveldt-van de rijdt; Frans B. Van duijneveldt

• Publisher: Elsevier Science
• Year: 1972
• Tongue: English
• Weight: 286 KB
• Volume: 17
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(72)87114-8

✦ Synopsis

Explicit formuias are presented for the doublcexchange first-order interaction energy of two closed-shell molecules Calculations on He2 show that the double-exchange terms contribute significantly for R < 3.5 au.