Corpus ID: 221761486

Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials

@article{Tong2020TowardPS,
  title={Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials},
  author={Xiao Tong and M. Bernardi},
  journal={arXiv: Materials Science},
  year={2020}
}

Xiao Tong, M. Bernardi

Published 2020

Materials Science, Physics

arXiv: Materials Science

Ultrafast spectroscopies can access the dynamics of electrons and nuclei at short timescales, shedding light on nonequilibrium phenomena in materials. However, development of accurate calculations to interpret these experiments has lagged behind as widely adopted simulation schemes are limited to sub-picosecond timescales or employ simplified interactions lacking quantitative accuracy. Here we show a precise approach to obtain the time-dependent populations of nonequilibrium electrons and… CONTINUE READING

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