Fully selfconsistent GW selfenergy of the electron gas
(1998) In Physical Review B 57(4). Abstract
 We present fully selfconsistent results for the selfenergy of the electron gas within the GW approximation. This means that the selfconsistent Green’s function G, as obtained from Dyson’s equation, is used not only for obtaining the selfenergy but also for constructing the screened interaction W within the randomphase approximation. Such a theory is particle and energy conserving in the sense of Kadanoff and Baym. We find an increase in the weight of the quasiparticle as compared to ordinary nonselfconsistent calculations but also to calculations with partial selfconsistency using a fixed W. The quasiparticle bandwidth is larger than that of free electrons and the satellite structure is broad and featureless; both results clearly... (More)
 We present fully selfconsistent results for the selfenergy of the electron gas within the GW approximation. This means that the selfconsistent Green’s function G, as obtained from Dyson’s equation, is used not only for obtaining the selfenergy but also for constructing the screened interaction W within the randomphase approximation. Such a theory is particle and energy conserving in the sense of Kadanoff and Baym. We find an increase in the weight of the quasiparticle as compared to ordinary nonselfconsistent calculations but also to calculations with partial selfconsistency using a fixed W. The quasiparticle bandwidth is larger than that of free electrons and the satellite structure is broad and featureless; both results clearly contradict the experimental evidence. The total energy, though, is as accurate as that from quantum Monte Carlo calculations, and its derivative with respect to particle number agrees with the Fermi energy as obtained directly from the pole of the Green’s function at the Fermi level. Our results indicate that, unless vertex corrections are included, nonselfconsistent results are to be preferred for most properties except for the total energy. (Less)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/955478
 author
 Holm, B. and von Barth, Ulf ^{LU}
 organization
 publishing date
 1998
 type
 Contribution to journal
 publication status
 published
 subject
 in
 Physical Review B
 volume
 57
 issue
 4
 publisher
 American Physical Society
 external identifiers

 scopus:0000935939
 ISSN
 1550235X
 DOI
 10.1103/PhysRevB.57.2108
 language
 English
 LU publication?
 yes
 id
 78ccdd240a09455c89e286998a5e7636 (old id 955478)
 date added to LUP
 20080125 11:51:46
 date last changed
 20180318 04:52:21
@article{78ccdd240a09455c89e286998a5e7636, abstract = {We present fully selfconsistent results for the selfenergy of the electron gas within the GW approximation. This means that the selfconsistent Green’s function G, as obtained from Dyson’s equation, is used not only for obtaining the selfenergy but also for constructing the screened interaction W within the randomphase approximation. Such a theory is particle and energy conserving in the sense of Kadanoff and Baym. We find an increase in the weight of the quasiparticle as compared to ordinary nonselfconsistent calculations but also to calculations with partial selfconsistency using a fixed W. The quasiparticle bandwidth is larger than that of free electrons and the satellite structure is broad and featureless; both results clearly contradict the experimental evidence. The total energy, though, is as accurate as that from quantum Monte Carlo calculations, and its derivative with respect to particle number agrees with the Fermi energy as obtained directly from the pole of the Green’s function at the Fermi level. Our results indicate that, unless vertex corrections are included, nonselfconsistent results are to be preferred for most properties except for the total energy.}, articleno = {2108}, author = {Holm, B. and von Barth, Ulf}, issn = {1550235X}, language = {eng}, number = {4}, publisher = {American Physical Society}, series = {Physical Review B}, title = {Fully selfconsistent GW selfenergy of the electron gas}, url = {http://dx.doi.org/10.1103/PhysRevB.57.2108}, volume = {57}, year = {1998}, }