Ghosh, S. K. ; Deb, B. M. (1983) A density-functional calculation of dynamic dipole polarizabilities of noble gas atoms Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 62 (3). pp. 209-217. ISSN 1432-881X
Full text not available from this repository.
Official URL: http://www.springerlink.com/content/g3515266n3716k...
Related URL: http://dx.doi.org/10.1007/BF00548835
Abstract
Using a very simple trial function and unperturbed electron densities calculated by a new procedure, the frequency-dependent dipole polarizability α (ω ) of Ne, Ar, Kr and Xe has been calculated in the range 0 ≤ ω ≤ 0 0.45 a.u., by a Karplus-Kolker-type variation-perturbation method. Results progressively worsen for larger systems so that, for Xe, α (0) is only 75% of the experimental value. Probable reasons for this are discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer-Verlag. |
| Keywords: | Density-functional Theory; Dynamic Polarizability; Noble Gas Atoms; Variation-perturbation Method; Direct Density Calculation |
| ID Code: | 9223 |
| Deposited On: | 29 Oct 2010 11:17 |
| Last Modified: | 31 May 2011 06:24 |
Repository Staff Only: item control page
