https://github.com/alexbuccheri/bethe-salpeter
Real-space implementation of the Bethe-Salpeter equation
https://github.com/alexbuccheri/bethe-salpeter
Last synced: 23 days ago
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Real-space implementation of the Bethe-Salpeter equation
- Host: GitHub
- URL: https://github.com/alexbuccheri/bethe-salpeter
- Owner: AlexBuccheri
- Created: 2017-07-08T13:16:18.000Z (almost 8 years ago)
- Default Branch: master
- Last Pushed: 2020-06-22T13:29:08.000Z (almost 5 years ago)
- Last Synced: 2025-02-08T12:31:08.064Z (3 months ago)
- Language: Fortran
- Homepage:
- Size: 85 KB
- Stars: 5
- Watchers: 2
- Forks: 1
- Open Issues: 0
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Metadata Files:
- Readme: ReadMe.md
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README
# A Real-Space Implementation of the Bethe-Salpeter formalism for the calculation of optical spectra of large, molecular systems
## A F2003 library
Key features:
* Real-space, minimal tight-binding basis
* Two-centre approximation
* Molecular systems only
* Full BSE (not restricted to Tamm-Dancoff approximation)
* Monopole approximation for terms beyond nearest neighbours
* Compute optical absorption spectra and optical band gaps
* Tested up to 6000 atoms (as of 2017)