✦ LIBER ✦
Numerical investigation of a lower bound to the Thomas—Fermi kinetic energy and the validity of the Lieb conjecture for H−, He, Li+, B3+, O6+, Ne8+, and Mg12+
✍ Scribed by P. Csavinszky
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 249 KB
- Volume
- 57
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
The purpose of the present work was twofold: First, a lower bound of Galvez and Dehesa to the Thomas-Fermi kinetic energy was investigated for the two-electron systems H-, He, Li+, B3+, 06+, Ne*+, and MgI2+. Second, a conjecture of Lieb, relating the kinetic energy to the Thomas-Fermi kinetic energy, was examined. For both investigations, the analytical approximations of Benesch to the radial electron densities of the two-electron systems were used. These approximations are based on the explicitly correlated (Hylleraas-type) 20 variational parameter wave functions of Hart and Herzberg.