Acceleration of shell DFT-1/2 in high-throughput calculations via cutoff radii prediction

Fuente: arXiv

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Bibliographic Details
Main Authors:	Xie, Shanzhong, Xue, Kan-Hao, Zhou, Zijian, Miao, Xiangshui
Format:	Preprint
Published:	2025
Subjects:	Materials Science Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2503.20150