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Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids
Abstract
We present a new method for efficient, accurate calculations of many-body properties of periodic systems. The main features are (i) use of a real-space/imaginary-time representation, (ii) avoidance of any model form for the screened interaction $W$, (iii) exact separation of $W$ and the self-energy $\ensuremath{\Sigma}$ into short- and long-ranged parts, and (iv) the use of novel analytical continuation techniques in the energy domain. The computer time scales approximately linearly with system size. We give results for jellium and silicon, including the spectral function of silicon obtained from the Dyson equation.
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Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
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
ABINIT: First-principles approach to material and nanosystem properties
Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., Bottin, F., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., et al. (2009) · Computer Physics Communications · doi:10.1016/j.cpc.2009.07.007 · Cited by 2,701
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 · Cited by 960
Accurate Bulk Properties from Approximate Many-Body Techniques
Harl, J., & Kresse, G. (2009) · Physical Review Letters · doi:10.1103/physrevlett.103.056401 · Cited by 414
Metadata
- Authors
- Rojas, H. N., Godby, R. W., & Needs, R. J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1995-03-06
- Volume
- 74
- Issue
- 10
- Pages
- 1827-1830
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2017160834
- Cited by
- 265
- References
- 0
- FWCI
- 3.91
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Rojas, H. N., Godby, R. W., & Needs, R. J. (1995). Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids. Physical Review Letters. https://doi.org/10.1103/physrevlett.74.1827
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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.
