Spin-Symmetry Projected constrained Unrestricted Hartree-Fock
Fuente:
arXiv
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| Main Authors: | Ayati, Amir, Burton, Hugh G. A., De Baerdemacker, Stijn |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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