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Cited by 960

The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.

Implementation and performance of the frequency-dependentGWmethod within the PAW framework

Shishkin, M., Kresse, G.·2006·Physical Review B
DOI 10.1103/physrevb.74.035101
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Abstract

Algorithmic details and results of fully frequency-dependent ${G}_{0}{W}_{0}$ calculations are presented. The implementation relies on the spectral representation of the involved matrices and their Hilbert or Kramers-Kronig transforms to obtain the polarizability and self-energy matrices at each frequency. Using this approach, the computational time for the calculation of polarizability matrices and quasiparticle energies is twice as that for a single frequency, plus Hilbert transforms. In addition, the implementation relies on the PAW method, which allows to treat $d$-states with relatively modest effort and permits the reevaluation of the core-valence interaction on the level of the Hartree-Fock approximation. Tests performed on an $sp$ material (Si) and materials with $d$ electrons (GaAs and CdS) yield quasiparticle energies that are very close to previous all-electron pseudopotential and all-electron full-potential linear muffin-tin-orbital calculations.

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Metadata

Authors
Shishkin, M., & Kresse, G.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
2006-07-06
Volume
74
Issue
3
ISSN
  • 1098-0121 (ISSN-L)
  • 1550-235X
DOI
10.1103/physrevb.74.035101
OpenAlex
W2024046694
Cited by
960
References
30
FWCI
9.02
Type
journal article
Language
en
Open access
closed

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