Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to GW and related approximations
File(s)spectral-functions-uniform.pdf (213.84 KB)
Accepted version
Author(s)
Type
Journal Article
Abstract
We use, for the first time, ab initio coupled-cluster theory to compute the spectral function of the uniform
electron gas at a Wigner-Seitz radius of rs = 4. The coupled-cluster approximations we employ go significantly
beyond the diagrammatic content of state-of-the-art GW theory. We compare our calculations extensively to
GW and GW-plus-cumulant theory, illustrating the strengths and weaknesses of these methods in capturing the
quasiparticle and satellite features of the electron gas. Our accurate calculations further allow us to address
the long-standing debate over the occupied bandwidth of metallic sodium. Our findings indicate that the future
application of coupled-cluster theory to condensed phase material spectra is highly promising.
electron gas at a Wigner-Seitz radius of rs = 4. The coupled-cluster approximations we employ go significantly
beyond the diagrammatic content of state-of-the-art GW theory. We compare our calculations extensively to
GW and GW-plus-cumulant theory, illustrating the strengths and weaknesses of these methods in capturing the
quasiparticle and satellite features of the electron gas. Our accurate calculations further allow us to address
the long-standing debate over the occupied bandwidth of metallic sodium. Our findings indicate that the future
application of coupled-cluster theory to condensed phase material spectra is highly promising.
Date Issued
2016-06-20
Date Acceptance
2016-06-20
Citation
Physical Review B, 2016, 93, pp.1-6
ISSN
1550-235X
Publisher
American Physical Society
Start Page
1
End Page
6
Journal / Book Title
Physical Review B
Volume
93
Copyright Statement
© 2016 American Physical Society
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.235139
Grant Number
EP/N005244/1
Subjects
Science & Technology
Technology
Physical Sciences
Materials Science, Multidisciplinary
Physics, Applied
Physics, Condensed Matter
Materials Science
Physics
SINGLE-PARTICLE SPECTRUM
SELF-CONSISTENT GW
T-MATRIX THEORY
GREENS-FUNCTION
CUMULANT EXPANSION
BAND-STRUCTURE
METALS
NA
ENERGIES
SYSTEMS
Publication Status
Published
Article Number
235139
Date Publish Online
2016-06-20