Calculation of the Peierls-Yoccoz translational mass for Hartree-Fock wave functions
โ Scribed by S. Marcos; H. Flocard; P.-H. Heenen
- Book ID
- 113347213
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 173 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0370-2693
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๐ SIMILAR VOLUMES
## Abstract Theoretical electronic wave functions, potential curves, and expectation values of some oneโelectron properties are given for the __c__^3^II~__u__~ state of the hydrogen molecule. The calculations are carried out by the matrix HartreeโFock method and use a 2โcenter basis of Slaterโtype
## Abstract The reduced local energy __E__~__L__~ of Rothstein and coโworkers is discussed as a criterion for the local accuracy of approximate wave functions. The behavior of __E__~__L__~ for different approximation levels is discussed. It is shown that, for particular classes of wave functions, f