Proper citation(s) - Githubissues

BoothGroup / ebcc

Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.

https://boothgroup.github.io/ebcc/

MIT License

11 stars 2 forks source link

Proper citation(s) #62

Closed vvp-nsk closed 3 months ago

vvp-nsk commented 3 months ago

Hej!

Could you please specify on how to cite the EBCC package, especially regarding implementations of the DCSD and BDCD methods?

Thank you in advance!

With best regards, Victor

obackhouse commented 3 months ago

Hi, nice to hear you have something worth citing. Since we haven't (yet) got around to publishing a paper on ebcc, I've linked Zenodo and triggered a new release, so there is now a DOI for the package: https://zenodo.org/doi/10.5281/zenodo.13141785. There are citation details at the bottom of that page.

For DCSD I would cite the following paper which I used when generating the code: https://doi.org/10.1063/1.4944087. For BDCD, perhaps the original Brueckner coupled cluster paper, or if there is one specific for BDCD then use that, but I didn't use any particular paper.

vvp-nsk commented 3 months ago

Hej!

Thanks for your prompt reply. I will follow your guidelines.

Even being written in all-in-RAM paradigm, the EBCC package is useful, but it needs a kind of promotion. At the very least, EBCC should be mentioned within the PySCF's interfaces listed at: https://pyscf.org/user/extensions.html

In my eye, the newly developed CC codes such as EBCC and CCPY must take their rightful place in computational chemistry.

Thank you for your work and support!

With best regards, Victor