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:
In the present work the total energy of a Ne atom at T = 0 K is calculated as a function of a spherical container radius. The calculation is based on the Thomas-Fermi (TF) equation, which is solved approximately by an equivalent variational principle. The effect of an approximate exchange correction on the variational TF energy values is investigated.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560190310