The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Excitation Energies from Time-Dependent Density-Functional Theory
Abstract
A new density-functional approach to calculate the excitation spectrum of many-electron systems is proposed. It is shown that the full linear density response of the interacting system, which has poles at the exact excitation energies, can rigorously be expressed in terms of the response function of the noninteracting (Kohn-Sham) system and a frequency-dependent exchange-correlation kernel. Using this expression, the poles of the full response function are obtained by systematic improvement upon the poles of the Kohn-Sham response function. Numerical results are presented for atoms.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914
Self-citation
Cited by
Cossi, M., Rega, N., Scalmani, G., & Barone, V. (2003) · Journal of Computational Chemistry · doi:10.1002/jcc.10189 · Cited by 8,056
Electronic excitations: density-functional versus many-body Green’s-function approaches
Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Martin, R. L. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1558471 · Cited by 2,761
octopus:a tool for the application of time‐dependent density functional theory
Castro, A., Appel, H., Oliveira, M., Rozzi, C. A., Andrade, X., Lorenzen, F., Marques, M. A. L., Gross, E. K. U., & Rubio, A. (2006) · physica status solidi (b) · doi:10.1002/pssb.200642067 · Cited by 894
Self-citationFrom DFT to machine learning: recent approaches to materials science–a review
Schleder, G. R., Padilha, A. C. M., Acosta, C. M., Costa, M., & Fazzio, A. (2019) · Journal of Physics: Materials · doi:10.1088/2515-7639/ab084b · Cited by 852
Metadata
- Authors
- Petersilka, M., Gossmann, U. J., & Gross, E. K. U.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1996-02-19
- Volume
- 76
- Issue
- 8
- Pages
- 1212-1215
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2070235865
- Cited by
- 1,666
- References
- 2
- FWCI
- 23.28
- Type
- journal article
- Language
- en
- Open access
- closed
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- Petersilka, M., Gossmann, U. J., & Gross, E. K. U. (1996). Excitation Energies from Time-Dependent Density-Functional Theory. Physical Review Letters. https://doi.org/10.1103/physrevlett.76.1212
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
