Correlated electron-ion dynamics with open boundaries: formalism

D R Bowler1, Andrew P Horsfield, Cristián G Sánchez

  • 1International Centre for Young Scientists (ICYS), NIMS, Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

Summary

We developed a new method for studying electron-ion interactions with open boundaries. This approach reveals how electron currents heat quantum ion energy while classical energy cools, advancing our understanding of correlated dynamics.

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