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Electronic decoherence along a single nuclear trajectory

Matisse Wei-Yuan Tu1,2,* and E. K. U. Gross1

  • 1Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel
  • 2Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany

  • *Contact author: tuwy@savion.huji.ac.il

Non-adiabatic perturbation theory of the exact factorization

Matisse Wei-Yuan Tu and E. K. U. Gross

The Journal of Chemical Physics 165 064112 (2026)

Time-Dependent Density Functional Theory of Electrons and Quantum Nuclei

Chen Li, Ryan Requist, and E. K. U. Gross

Phys. Rev. Lett. 137 193001 (2026)

Exactly Factorized Molecular Kohn–Sham Density Functional Theory

Lucien Dupuy, Benjamin Lasorne, and Emmanuel Fromager

J Comput Chem 47 e70459 (2026)

Exact factorization of a many-body wavefunction beyond the electron–nuclear problem

Peter Schürger, Sara Giarrusso, and Federica Agostini

Chemical Physics Reviews 7 031301 (2026)

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