Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials

Fuente: arXiv
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Bibliographic Details
Main Authors: Takahara, Izumi, Shibata, Kiyou, Mizoguchi, Teruyasu
Format: Preprint
Published: 2024
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