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Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations

Fuente: arXiv
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Bibliographic Details
Main Authors: Chen, Yongshuo, Ma, Cheng, Cui, Boning, Cui, Tian, Mi, Wenhui, Xu, Qiang, Wang, Yanchao, Ma, Yanming
Format: Preprint
Published: 2024
Subjects:
Materials Science
Mesoscale and Nanoscale Physics
Computational Physics
Online Access:
Acceder al recurso
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