Viswanath, M. B. ; Sen, K. D. (1989) Density functional theory calculations of one electron Rydberg states in Li atom Theoretica Chimica Acta, 76 (5). pp. 373-375. ISSN 0040-5744
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Official URL: http://www.springerlink.com/content/g6854605706344...
Related URL: http://dx.doi.org/10.1007/BF00529935
Abstract
It is shown by comparison with the available time-dependent coupled Hartree-Fock calculations that the self-interaction-corrected local spin-density functional theory, with correlation energy, provides an accurate description of the transition energy and the radial expectation values < R−1 > and < R >, for the Rydberg states (n=2-8) of Li(1s2nl1) atom. A simple criterion is proposed to define the percentage of Rydberg character of a valence ns orbital.
Item Type: | Article |
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Source: | Copyright of this article belongs to Springer. |
Keywords: | Rydberg States; Atomic Li; Density Functional Theory |
ID Code: | 44978 |
Deposited On: | 24 Jun 2011 13:42 |
Last Modified: | 24 Jun 2011 13:42 |
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