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2502.19227
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Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
26 February 2025
Yunyang Li
Zaishuo Xia
Lin Huang
Xinran Wei
Han Yang
Sam Harshe
Zun Wang
Chang-Shu Liu
Jia Zhang
Bin Shao
Mark B. Gerstein
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"Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems"
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