Please use this identifier to cite or link to this item: http://nopr.niscpr.res.in/handle/123456789/25855
Title: A density functional calculation of Ar++(3s23p3nl) satellite states
Authors: Vikas
Roy, Amlan K
Deb, B M
Issue Date: Mar-2000
Publisher: NISCAIR-CSIR, India
Abstract: The correlation states (satellites) of atoms, particularly of charged ions, are difficult to compute accurately. In this work, we present and discuss the results of Ar++(3s23p3nl)  satellite states, calculated by employing a simple density-functional formalism within a single determinantal approach along with Slater's sum rule. A Kohn-Sham-type differential equation is solved numerically by employing the work-function-based potential of Harbola and Sahni for exchange while for correlation, the effects of two different correlation energy functionals (local Wigner and nonlocal Lee-Yang-Parr) have been studied. In some cases, Lee- Yang-Parr functional gives better results, while for others Wigner functional turns out to be better. About forty states are reported for the first time.
Page(s): 32-39
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.39A(01-03) [January-March 2000]

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