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Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method

Yixiang Cao1, Mathew D Halls2, Richard A Friesner3

  • 1Schrödinger Inc., 1540 Broadway, 24th Floor, New York, New York 10036, USA.

The Journal of Chemical Physics
|February 22, 2024
PubMed

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