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 0031-9007Full text not available from this repository.
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.
|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.|
|Institution:||The University of York|
|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|
|Publisher:||American Physical Society|