Adaptive Gaussian basis set for quantum chemistry computation

Jiaxi Zhao

Published: 21 Apr 2025, Last Modified: 26 May 2025AI4X 2025 PosterEveryoneRevisionsBibTeXCC BY 4.0
Keywords: Quantum chemistry, adaptive basis set, direct optimization
TL;DR: We implement an adaptive Gaussian basis set that calculate the integral efficiently for quantum chemistry computation.
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Submission Number: 273