physics.chem-ph · 2026-09-30 · No. 129

Chemical Physics, 2026-09-30.

1 new papers in physics.chem-ph. Titles, authors, abstracts. Links to arXiv. Want this in your inbox every morning? Subscribe →

01 — The papers

1 entries
  1. 01

    Foundation Neural-Network Quantum States for Molecular Potential Energy Surfaces in Second Quantization

    Lizhong Fu, Jianan Wei, Wenguan Wang, Honghui Shang

    physics.chem-ph · cs.LG · quant-ph

    Second-quantized neural-network quantum states have achieved accurate molecular energies, but extending them across molecular geometries requires a shared representation of the geometry-dependent wavefunction coefficients. We introduce geometry-conditioned foundation neural-network quantum states for molecular electronic structure in second quantization. A single autoregressive model learns a family of ground states from sparse anchor...

    arxiv.org/abs/2609.37733 · PDF

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