Spatial Discretization Error for Quantum Chemistry Simulation

DOI10.48550/ARXIV.2610.25260MaRDI QIDQ7400241arXivFDO

Authors Di Fang, Jiaqi Zhang

Publication date 18 October 2026

Published in arXiv

Tldr We provide a general framework for estimating spatial discretization errors in quantum chemistry simulations and obtain sharp convergence rates for wave-function dynamics and ground-state energies. We establish that uniform M^(-1) convergence is impossible for real-time wave-function error with general H^2 initial data.

Full work available at URL https://doi.org/10.48550/ARXIV.2610.25260

arXiv classification

math-phmath.NAquant-ph

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