Jánosfalvi, Zs. ; Sen, K. D. ; Nagy, Á. (2005) Cusp conditions for non-interacting kinetic energy density of the density functional theory Physics Letters A, 344 (1). pp. 1-6. ISSN 0375-9601
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.physleta.2005.05.101
Abstract
Cusp relations for the kinetic energy density are derived for the ground and excited states of atoms, ions or molecules. The two most frequently used kinetic energy density expressions imply different behaviour at the nuclei.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 45004 |
| Deposited On: | 24 Jun 2011 13:51 |
| Last Modified: | 27 Jun 2011 04:40 |
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