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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
ROHF — Restricted open-shell Hartree–Fock calculation.
ROHF
The restricted open-shell Hartree–Fock method will be used. For closed-shell systems, the ROHF solution is equivalen to the RHF solution. Note that ROHF does not currently work with SPARSE calculations.
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