Shape restricted wavefunctions: Ellipsoidal limits for ground and excited σg states of H2+

✍ Scribed by J. Katriel; G. Adam

• Publisher: Elsevier Science
• Year: 1971
• Tongue: English
• Weight: 478 KB
• Volume: 10
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(71)87031-8

✦ Synopsis

Ellipsoidal as well as spherical limits for the energies of the Iso,. 2~~ and 3~0, states of H: have been obtained at varidus internuclear di&nces. The improvement obtained for & gro&d-state &ergy in the ellipsoidal knit is about 40% of the difference between the spherical limit and the exact energy.