Onida, G., Reining, L., Godby, R.W., Sole, R.D. and Andreoni, W. (1995) it Ab initio calculations of the quasiparticle and absorption spectra of clusters: the sodium tetrameter. Physical Review Letters, 75 (5). pp. 818-821. ISSN 0031-9007
Full text not available from this repository.Abstract
We report the first ab initio quasiparticle calculation in a real cluster Na4 within Hedin's GW approximation for the valence electron self-energy. Our approach avoids the summations over empty states, and also eliminates the problem of residual interactions between the periodic images. Self-energy corrections open the local density approximation gap by more than 2 eV; finite-size effects on screening are shown to play an important role. The absorption spectrum calculated by including excitonic effects using our ab initio screened interaction gives a good account of the experimental photodepletion data.
| Item Type: | Article |
|---|---|
| Copyright, Publisher and Additional Information: | © 1995 American Physical Society. Published in Physical Review Letters and uploaded in accordance with the publisher's self archiving policy. |
| Academic Units: | The University of York > Physics (York) |
| Depositing User: | Physics Import |
| Date Deposited: | 25 Sep 2008 10:47 |
| Last Modified: | 25 Sep 2008 10:47 |
| Published Version: | http://link.aps.org/abstract/PRL/v75/p818 |
| Status: | Published |
| Publisher: | American Physical Society |
| Refereed: | Yes |
| Identification Number: | 10.1103/PhysRevLett.75.818 |
| Related URLs: | |
| URI: | http://eprints.whiterose.ac.uk/id/eprint/3994 |
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