First ManyHF paper (JCP) : https://doi.org/10.1063/5.0080817 A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development (and more)
TiborGY/ManyHF
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First ManyHF paper (JCP) : https://doi.org/10.1063/5.0080817 A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development (and more)