dorsal/arxiv
View SchemaSelf-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model
| Authors | M. Payami, Tahereh Mahmoodi |
|---|---|
| Categories | |
| ArXiv ID | physics/0508115 |
| URL | https://arxiv.org/abs/physics/0508115 |
| DOI | 10.1088/0953-8984/18/1/005 |
| Journal | J. Phys.: Condens. Matter Vol 18, 75 (2006) |
Abstract
In this work, employing the exchange-only orbital-dependent functional, we have obtained the optimized effective potential using the simple iterative method proposed by K\"ummel and Perdew [S. K\"ummel and J. P. Perdew, Phys. Rev. Lett. {\bf 90}, 43004-1 (2003)]. 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 jellium model. The results are in good agreement with those obtained by the different method of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B {\bf 50}, 10498 (1994)].
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"abstract": "In this work, employing the exchange-only orbital-dependent functional, we\nhave obtained the optimized effective potential using the simple iterative\nmethod proposed by K\\\"ummel and Perdew [S. K\\\"ummel and J. P. Perdew, Phys.\nRev. Lett. {\\bf 90}, 43004-1 (2003)]. Using this method, we have solved the\nself-consistent Kohn-Sham equations for closed-shell simple metal clusters of\nAl, Li, Na, K, and Cs in the context of jellium model. The results are in good\nagreement with those obtained by the different method of Engel and Vosko [E.\nEngel and S. H. Vosko, Phys. Rev. B {\\bf 50}, 10498 (1994)].",
"arxiv_id": "physics/0508115",
"authors": [
"M. Payami",
"Tahereh Mahmoodi"
],
"categories": [
"physics.atm-clus",
"cond-mat.mtrl-sci"
],
"doi": "10.1088/0953-8984/18/1/005",
"journal_ref": "J. Phys.: Condens. Matter Vol 18, 75 (2006)",
"title": "Self-consistent iterative solution of the exchange-only OEP equations for simple metal clusters in jellium model",
"url": "https://arxiv.org/abs/physics/0508115"
},
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