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Computing electron dynamics in momentum space

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A momentum-space algorithm is proposed to simulate electron dynamics with time-dependent density functional theory, which expands the scope of conventional real-space methods.

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Fig. 1: Computing the coupled dynamics of electrons and atomic vibrations.

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Authors and Affiliations

  1. Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA, USA

    Marco Bernardi

  2. Department of Physics, California Institute of Technology, Pasadena, CA, USA

    Marco Bernardi

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  1. Marco Bernardi
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Correspondence to Marco Bernardi.

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The author declares no competing interests.

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Bernardi, M. Computing electron dynamics in momentum space. Nat Comput Sci 3, 480–481 (2023). https://doi.org/10.1038/s43588-023-00473-8

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