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
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arXiv
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| Main Authors: | Takahara, Izumi, Shibata, Kiyou, Mizoguchi, Teruyasu |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
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