ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The purpose of the present work was twofold: First, a lower bound of Gálvez and Dehesa to the Thomas-Fermi kinetic energy was investigated for the two-electron systems H-, He, Li+, B3+, O6+, Ne8+, and Mg12+. 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. © 1996 John Wiley & Sons, Inc.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
