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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] |
Files in This Item:
File | Description | Size | Format | |
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IJCA 39A(01-03) 32-39.pdf | 3.11 MB | Adobe PDF | View/Open |
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