Supplement Number 1

https://doi.org/10.60893/figshare.jcp.30238615

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posted on 2025-10-20, 04:10 authored by Jing Shen, Zi-Yu Yu, Wenbin FAN, Qi Yu, Shuo Yang, Wei Fang, Dong Zhang

Supplementary Information: Detailed convergence tests and additional data and discussions supporting the main findings.

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Chemical sciences

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Quantum chemistry Computational chemistry

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