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Updated: Dec 2, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Quadratically convergent self-consistent field of projected Hartree-Fock

Motoyuki Uejima1, Seiichiro L Ten-No1

  • 1Graduate School of Science, Technology, and Innovation, Kobe University, Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan.

The Journal of Chemical Physics
|November 3, 2020
PubMed

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