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Shape restricted wavefunctions: Two center spherical limits for H+2

✍ Scribed by J. Kathriel; G. Adam

Publisher: Elsevier Science
Year: 1970
Tongue: English
Weight: 366 KB
Volume: 6
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(70)85184-3

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✦ Synopsis

The two-center spherical limits for the energies, (a?>, (r2), equilibrium distances and vibration frequencies are obtained for the ground state of H$. It is found, inter alia, that a linear combination oE two floating spherical functions approximates the exact ground state energy to within 0.7%.

📜 SIMILAR VOLUMES

Shape restricted wavefunctions: Ellipsoi

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

✍ J. Katriel; G. Adam 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 478 KB

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