https://github.com/alexbuccheri/bethe-salpeter

Real-space implementation of the Bethe-Salpeter equation
https://github.com/alexbuccheri/bethe-salpeter

Last synced: about 1 month 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 (over 7 years ago)
• Default Branch: master
• Last Pushed: 2020-06-22T13:29:08.000Z (over 4 years ago)
• Last Synced: 2024-10-28T10:28:32.245Z (3 months ago)
• Language: Fortran
• Homepage:
• Size: 85 KB
• Stars: 4
• Watchers: 2
• Forks: 1
• Open Issues: 0
• 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)