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What’s next for atomic and molecular physics software?

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

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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.

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

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  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).

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Correspondence to Andrew Brown.

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AMP gateway project:

Belfast parallel R-matrix codes:





Jena Atomic Calculator:



UK-AMOR code repository:

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Brown, A. What’s next for atomic and molecular physics software?. Nat Rev Phys 2, 68–69 (2020).

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