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physics.chem-ph2026

Preparing Small Gaussian Basis for Highly Accurate Ab Initio Description of Lithium Rydberg States

Jan Šmydke, Benjamín Andreides, Simona Dubcová

The paper introduces a compact, highly accurate Gaussian basis set for ab initio calculations of lithium Rydberg excited states up to principal quantum number n = 7, achieving sub‑…