Total energies from GW calculations

Authors
Citation
B. Holm, Total energies from GW calculations, PHYS REV L, 83(4), 1999, pp. 788-791
Citations number
21
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
83
Issue
4
Year of publication
1999
Pages
788 - 791
Database
ISI
SICI code
0031-9007(19990726)83:4<788:TEFGC>2.0.ZU;2-7
Abstract
The possibilities of obtaining accurate total energies from GW calculations at Various levels of self-consistency are investigated. In the conserving approximation known as the fully self-consistent GW approach there is no am biguity in calculating the total energy, and the results for the electron a s compare well with those of accurate Monte Carlo calculations. We demonstr ate how to obtain chemical potentials and total energies of similar accurac y from partially self-consistent (GW(0)) calculations.