dorsal/arxiv
View SchemaA remark on the local density approximation with the gradient corrections and the X$_\alpha$ method
| Authors | Y. -B. Xie, B. -H. Wang, W. -X. Wang |
|---|---|
| Categories | |
| ArXiv ID | physics/0612008 |
| URL | https://arxiv.org/abs/physics/0612008 |
Abstract
We report that the solids with narrow valence bands cannot be described by the local density approximation with the gradient corrections in the density functional theory as well as the X$_\alpha$ method. In particular, in the case of completely filled valence bands, the work function is significantly underestimated by these methods for such types of solids. Also, we figured out that these deficiencies cannot be cured by the self-interaction-corrected-local-density-approximation method.
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"date_created": "2026-03-02T18:01:14.724000Z",
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"abstract": "We report that the solids with narrow valence bands cannot be described by\nthe local density approximation with the gradient corrections in the density\nfunctional theory as well as the X$_\\alpha$ method. In particular, in the case\nof completely filled valence bands, the work function is significantly\nunderestimated by these methods for such types of solids. Also, we figured out\nthat these deficiencies cannot be cured by the\nself-interaction-corrected-local-density-approximation method.",
"arxiv_id": "physics/0612008",
"authors": [
"Y. -B. Xie",
"B. -H. Wang",
"W. -X. Wang"
],
"categories": [
"physics.atom-ph"
],
"title": "A remark on the local density approximation with the gradient corrections and the X$_\\alpha$ method",
"url": "https://arxiv.org/abs/physics/0612008"
},
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