Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

What’s next for atomic and molecular physics software?

A Publisher Correction to this article was published on 20 February 2020

This article has been updated

There are several atomic, molecular and optical physics computer codes. Knowing which one to use for what and how is a challenge. Andrew Brown surveys the available software packages and discusses how code development practices in academia could be improved.

This is a preview of subscription content, access via your institution

Access options

Buy article

Get time limited or full article access on ReadCube.

$32.00

All prices are NET prices.

Fig. 1: The typical anatomy of an academic code development project.

Change history

References

  1. Schneider, B. & Gharibnejad, G. Numerical methods every atomic and molecular theorist should know. Nat. Rev. Phys. (2019).

  2. Zatsarinny, O. BSR: B-spline atomic R-matrix codes. Comput. Phys. Commun. 174, 273 (2006).

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Andrew Brown.

Ethics declarations

Competing interests

The author declares no competing interest.

Additional information

RELATED LINKS

AMP gateway project: https://ampgateway.org

Belfast parallel R-matrix codes: http://connorb.freeshell.org

bitbucket: https://bitbucket.org/

git: https://git-scm.com/

github: https://github.com/

gitlab: https://about.gitlab.com/

Jena Atomic Calculator: https://github.com/OpenJAC/JAC.jl

Mercurial: https://www.mercurial-scm.org/

SVN: https://subversion.apache.org/

UK-AMOR code repository: https://gitlab.com/uk-amor/

Rights and permissions

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

Cite this article

Brown, A. What’s next for atomic and molecular physics software?. Nat Rev Phys 2, 68–69 (2020). https://doi.org/10.1038/s42254-019-0139-y

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1038/s42254-019-0139-y

Search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing