Singh, Ranbir ; Deb, B. M. (1994) Excited-state density functional calculations on the helium isoelectronic sequence Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (6). pp. 1321-1328. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/j_archive/chemsci/106/8/1321-...
Related URL: http://dx.doi.org/10.1007/BF02840689
Abstract
Self-consistent density-functional calculations, in an exchange-only framework, are reported for the energies and moments of the 23S excited states of the helium isoelectronic sequence, according to the prescription of Harbola and Sahni. The total energy values show excellent agreement with "exact" nonrelativistic values while the moments are also quite satisfactory.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Self-consistent Density-functional Calculations; Helium Isoelectronic Sequence; Exchange-only Framework |
| ID Code: | 9173 |
| Deposited On: | 29 Oct 2010 11:58 |
| Last Modified: | 16 May 2016 19:01 |
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