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yambo: An ab initio tool for excited state calculations
Open accessAbstract
yambo is an ab initio code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the GW approximation for the self-energy. Optical properties are evaluated either by solving the Bethe-Salpeter equation or by using the adiabatic local density approximation. yambo is a plane-wave code that, although particularly suited for calculations of periodic bulk systems, has been applied to a large variety of physical systems. yambo relies on efficient numerical techniques devised to treat systems with reduced dimensionality, or with a large number of degrees of freedom. The code has a user-friendly command-line based interface, flexible 110 procedures and is interfaced to several publicly available density functional ground-state codes.
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Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
The Design and Implementation of FFTW3
Frigo, M., & Johnson, S. G. (2005) · Proceedings of the IEEE · doi:10.1109/jproc.2004.840301 · Cited by 5,086
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
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Electron–phonon coupling in hybrid lead halide perovskites
Wright, A. D., Verdi, C., Milot, R. L., Eperon, G. E., Pérez-Osorio, M. A., Snaith, H. J., Giustino, F., Johnston, M. B., & Herz, L. M. (2016) · Nature Communications · doi:10.1038/ncomms11755 · Cited by 1,374
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Metadata
- Authors
- Marini, A., Hogan, C., Grüning, M., & Varsano, D.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 2009-08
- Volume
- 180
- Issue
- 8
- Pages
- 1392-1403
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W1542444890
- Cited by
- 1,223
- References
- 3
- FWCI
- 19.70
- Type
- journal article
- Language
- en
- Open access
- green
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