Onida, G., Reining, L., Godby, R.W. et al. (2 more authors) (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
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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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. |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (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: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:3994 |