Journal
PHYSICAL REVIEW B
Volume 93, Issue 23, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.93.235139
Keywords
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Funding
- Engineering and Physical Sciences Research Council [EP/N005244/1]
- Thomas Young Centre [TYC-101]
- SciDAC Program on Excited State Phenomena in Energy Materials - U.S. Department of Energy (DOE)
- Office of Basic Energy Sciences and of Advanced Scientific Computing Research [DE-AC02-05CH11231]
- NSF [DMR15-1508412]
- National Science Foundation [ACI-1148125]
- Computational Laboratory for Hybrid/Organic Photovoltaics of CNR-ISTM for a fellowship - CNR-EFOR project
- Princeton Center for Theoretical Science
- DOE (SciDAC): Predictive Computing for Condensed Matter [DE-SC0008624]
- DOE: Quantum Embedding for Correlated Electronic Structure in Large Systems
- Condensed Phase [DE-SC0010530]
- Simons Foundation through the Simons Collaboration
- Direct For Mathematical & Physical Scien [1508412] Funding Source: National Science Foundation
- Division Of Materials Research [1508412] Funding Source: National Science Foundation
- Office of Advanced Cyberinfrastructure (OAC)
- Direct For Computer & Info Scie & Enginr [1148125] Funding Source: National Science Foundation
- Engineering and Physical Sciences Research Council [EP/N005244/1] Funding Source: researchfish
- U.S. Department of Energy (DOE) [DE-SC0008624] Funding Source: U.S. Department of Energy (DOE)
- EPSRC [EP/N005244/1] Funding Source: UKRI
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We use ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas at a Wigner-Seitz radius of r(s) = 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.
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