ANALYTICAL ASYMPTOTIC STRUCTURE OF THE CORRELATION-KINETIC COMPONENT OF THE KOHN-SHAM EXCHANGE-CORRELATION POTENTIAL IN ATOMS

Authors
QIAN ZX SAHNI V
Citation
Zx. Qian et V. Sahni, ANALYTICAL ASYMPTOTIC STRUCTURE OF THE CORRELATION-KINETIC COMPONENT OF THE KOHN-SHAM EXCHANGE-CORRELATION POTENTIAL IN ATOMS, Physical review. A, 57(5), 1998, pp. 4041-4044
Citations number
30
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
57
Issue
5
Year of publication
1998
Pages
4041 - 4044
Database
ISI
SICI code
1050-2947(1998)57:5<4041:AASOTC>2.0.ZU;2-6
Abstract
The contribution of Pauli and Coulomb correlations to the asymptotic s tructure of the Kohn-Sham density-functional theory exchange-correlati on potential in the classically forbidden region of atoms is well esta blished. In this paper we derive the analytical asymptotic structure o f the correlation-kinetic component of the potential to decay in this region as 8 kappa(0) chi/5r(5), where kappa(0)(2)/2 is the ionization potential and chi is an expectation value of the resulting ion.