Published January 11, 2006 | Version v1
Journal article

Self-consistent iterative solution of exchange-only optimized effective potential equations for simple metal clusters in the jellium model

  • 1. Centre for Theoretical Physics and Mathematics, Atomic Energy Organization of Iran, PO Box 11365-8486, Tehran (Iran, Islamic Republic of)
  • 2. Physics Department, Islamic Azad University, Branch of Sciences and Research, Tehran (Iran, Islamic Republic of)

Description

In this work, employing the exchange-only orbital-dependent functional, we have obtained an optimized effective potential using the simple iterative method proposed by Kuemmel and Perdew (2003 Phys. Rev. Lett. 90 43004). Using this method, we have solved the self-consistent Kohn-Sham equations for closed-shell simple metal clusters of Al, Li, Na, K, and Cs in the context of the jellium model. The results are in good agreement with those obtained by a different method by Engel and Vosko (1994 Phys. Rev. B 50 10498)

Availability note (English)

Available online at http://stacks.iop.org/0953-8984/18/75/cm6_1_005.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
18
Journal Issue
1
Journal Page Range
p. 75-85
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
37059183
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ALUMINIUM; CESIUM; ITERATIVE METHODS; LITHIUM; MATHEMATICAL SOLUTIONS; POTENTIALS; SODIUM
Descriptors DEC
ALKALI METALS; CALCULATION METHODS; ELEMENTS; METALS