Publications

BibTex format

@article{McClain:2016:10.1103/PhysRevB.93.235139,
author = {McClain, J and Lischner, JC and Watson, T and Matthews, DA and Ronca, E and Louie, SG and Berkelbach, TC and Chan, GK-L},
doi = {10.1103/PhysRevB.93.235139},
journal = {Physical Review B},
pages = {1--6},
title = {Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to GW and related approximations},
url = {http://dx.doi.org/10.1103/PhysRevB.93.235139},
volume = {93},
year = {2016}
}

Download

RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We use, for the first time, ab initio coupled-cluster theory to compute the spectral function of the uniformelectron gas at a Wigner-Seitz radius of rs = 4. The coupled-cluster approximations we employ go significantlybeyond the diagrammatic content of state-of-the-art GW theory. We compare our calculations extensively toGW and GW-plus-cumulant theory, illustrating the strengths and weaknesses of these methods in capturing thequasiparticle and satellite features of the electron gas. Our accurate calculations further allow us to addressthe long-standing debate over the occupied bandwidth of metallic sodium. Our findings indicate that the futureapplication of coupled-cluster theory to condensed phase material spectra is highly promising.
AU  - McClain,J
AU  - Lischner,JC
AU  - Watson,T
AU  - Matthews,DA
AU  - Ronca,E
AU  - Louie,SG
AU  - Berkelbach,TC
AU  - Chan,GK-L
DO  - 10.1103/PhysRevB.93.235139
EP  - 6
PY  - 2016///
SN  - 1550-235X
SP  - 1
TI  - Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to GW and related approximations
T2  - Physical Review B
UR  - http://dx.doi.org/10.1103/PhysRevB.93.235139
UR  - https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.235139
UR  - http://hdl.handle.net/10044/1/33923
VL  - 93
ER  -

Download

ProfessorJohannesLischner

Contact

Location

Summary

Citation

BibTex format

RIS format (EndNote, RefMan)