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:
Using hydrogen-like wave functions, a two-parameter and a four-parameter variational density-functional calculation of the total atomic binding energy of Ne atom is carried out. The total-energy values, together with values obtained for the electron (number) density at the nucleus, are compared with a previous three-parameter variational density-functional calculation and with single-zeta Hartree-Fock values.
Additional Material:
3 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560382411