Atomic ionization radii using Janak's theorem

Citation
Kd. Sen et al., Atomic ionization radii using Janak's theorem, CHEM P LETT, 325(1-3), 2000, pp. 29-32
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
325
Issue
1-3
Year of publication
2000
Pages
29 - 32
Database
ISI
SICI code
0009-2614(20000721)325:1-3<29:AIRUJT>2.0.ZU;2-I
Abstract
Accurate calculations of the atomic ionization radius defined as the critic al radius at which a spherically confined atom undergoes ionization are rep orted for the atoms He-Ca using the Kohn-Sham variational method in conjunc tion with the Slater transition state approximation to Janak's theorem of t he density functional theory. (C) 2000 Elsevier Science B.V. All rights res erved.