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ERIC Number: EJ825825
Record Type: Journal
Publication Date: 2008-Mar
Pages: 2
Abstractor: As Provided
Reference Count: 4
ISBN: N/A
ISSN: ISSN-0021-9584
Hund's Rule in Two-Electron Atomic Systems
Harriman, John E.
Journal of Chemical Education, v85 n3 p451-452 Mar 2008
A model proposed by Rioux to explain Hund's rule is investigated. Although the largest contribution to the singlet-triplet splitting in the two-electron atomic systems is the nuclear attraction term, this arises from different optimum scale factors in the two states and that difference is driven by the electron-electron exchange term. The incorrect prediction that the singlet energy is lower for the He 1s2s states is a consequence of the fact that in the model used by Rioux the singlet-state wave function is not orthogonal to the ground-state wave function, as it must be for a variational calculation. (Contains 1 figure and 1 table.)
Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail: jchemed@egpp.com; Web site: http://www.jce.divched.org
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A