CoChat
Sign Up
Cited by 4,155Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesPhysics of Superconductivity and Magnetism

The DOI matches its Crossref record; 326 of the 326 references it cites were found in a registry or an index.

Electronic excitations: density-functional versus many-body Green’s-function approaches

Open access
Onida, Giovanni, Reining, Lucia, Rubio, Angel·2002·Reviews of Modern Physics
DOI 10.1103/revmodphys.74.601
Open this paper in CoChat — free accountOpen PDF

Abstract

Electronic excitations lie at the origin of most of the commonly measured spectra. However, the first-principles computation of excited states requires a larger effort than ground-state calculations, which can be very efficiently carried out within density-functional theory. On the other hand, two theoretical and computational tools have come to prominence for the description of electronic excitations. One of them, many-body perturbation theory, is based on a set of Green's-function equations, starting with a one-electron propagator and considering the electron-hole Green's function for the response. Key ingredients are the electron's self-energy \ensuremath{\Sigma} and the electron-hole interaction. A good approximation for \ensuremath{\Sigma} is obtained with Hedin's $\mathrm{GW}$ approach, using density-functional theory as a zero-order solution. First-principles $\mathrm{GW}$ calculations for real systems have been successfully carried out since the 1980s. Similarly, the electron-hole interaction is well described by the Bethe-Salpeter equation, via a functional derivative of \ensuremath{\Sigma}. An alternative approach to calculating electronic excitations is the time-dependent density-functional theory (TDDFT), which offers the important practical advantage of a dependence on density rather than on multivariable Green's functions. This approach leads to a screening equation similar to the Bethe-Salpeter one, but with a two-point, rather than a four-point, interaction kernel. At present, the simple adiabatic local-density approximation has given promising results for finite systems, but has significant deficiencies in the description of absorption spectra in solids, leading to wrong excitation energies, the absence of bound excitonic states, and appreciable distortions of the spectral line shapes. The search for improved TDDFT potentials and kernels is hence a subject of increasing interest. It can be addressed within the framework of many-body perturbation theory: in fact, both the Green's functions and the TDDFT approaches profit from mutual insight. This review compares the theoretical and practical aspects of the two approaches and their specific numerical implementations, and presents an overview of accomplishments and work in progress.

Overview

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Integrity signals

Registry

Crossref · 10.1103/revmodphys.74.601

Cites

326 of 326 references verified0 citation errors · 0 not checkable

Statistics

Verification

Claims the paper makes

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Claims other papers make about this one

Each is checked against this paper’s own text: does it say what the citing paper says it does?

Self-check

Percentages, sums and reported differences re-computed from the paper’s own numbers.

The self-check needs the paper’s full text.

Citations

Cites

Flagged first, then by citations

Research works printed but not linked: 16

  1. Anisimov, V. I., 1997, J. Phys.: Condens. Matter, 9, 767
  2. Aulbur, W. G., 1999, Solid State Phys., 54, 1
  3. Castro, A., 2001, J. Chem. Phys., 118, 1930
  4. Dobson, J. F., 1988, J. Phys.: Condens. Matter, 2, 6461
  5. Galitskii, V. M., 1958, Sov. Phys. JETP, 7, 96
  6. Hedin, L., 1999, J. Phys.: Condens. Matter, 11, R489
  7. Keldysh, L. V., 1965, Sov. Phys. JETP, 20, 1018
  8. Landau, L. D., 1957, Sov. Phys. JETP, 3, 920
  9. Landau, L. D., 1957, Sov. Phys. JETP, 5, 101
  10. Landau, L. D., 1959, Sov. Phys. JETP, 35, 70
  11. Lindhard, J., 1954, K. Dan. Vidensk. Selsk. Mat. Fys. Medd., 28, 57
  12. Lundqvist, B. I., 1967, Phys. Kondens. Mater., 6, 193
  13. Lundqvist, B. I., 1968, Phys. Kondens. Mater., 7, 117
  14. Mahan, G. D., 1994, Comments Condens. Matter Phys., 16, 333
  15. Pollehn, T. J., 1998, J. Phys.: Condens. Matter, 10, 1273
  16. Taut, M., 1992, J. Phys. C, 4, 9595

Cited by

Sorted by citations

See all 4,155

Related

See all

Metadata

Authors
Onida, G., Reining, L., & Rubio, A.
Affiliations
University of Rome Tor Vergata (IT)
ORCID
Venue
Reviews of Modern Physics
Publisher
American Physical Society (APS)
Published
2002-06-07
Volume
74
Issue
2
Pages
601-659
ISSN
  • 0034-6861 (ISSN-L)
  • 1539-0756
DOI
10.1103/revmodphys.74.601
OpenAlex
W2053499780
Cited by
4,155
References
323
Citations by year
2026: 238 · 2025: 221 · 2024: 233 · 2023: 232 · 2022: 202 · 2021: 245 · 2020: 270 · 2019: 199 · 2018: 223 · 2017: 210 · 2016: 224 · 2015: 203 · 2014: 217 · 2013: 168 · 2012: 180
FWCI
48.69
Type
journal article
Language
en
Open access
Licence
link.aps.org/licenses/aps-default-license (vor)
Locations
  • Reviews of Modern Physics (publishedVersion)
  • DIGITAL.CSIC (Spanish National Research Council (CSIC)) (submittedVersion, other-oa)
Funders
  • European Commission
  • Centre National de la Recherche Scientifique
Topics
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
  • Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Physics of Superconductivity and Magnetism
Keywords
electronic excitation, excited states, GW approximation, Bethe-Salpeter equation, time-dependent density functional theory, many-body perturbation theory, Green's function, electron self-energy, electron-hole interaction, adiabatic local density approximation, absorption spectra, spectral line shape, excitonic states

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review