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RHF, ROHF, UHF Methods

The table below summarizes some properties of RHF, ROHF and UHF methods.
Method RHF ROHF UHF
Initials of Restricted Hartree- Restricted Open Unrestricted
Fock shell Hartree-Fock Hartree-Fock
For system with 1 All multiplicities All multiplicities
multiplicity
Do and Yes Yes For multiplicity 1,
electronic orbitals yes.
have the same For other
spatial part? multiplicities, no
Relative energy Identical energy Identical energy Identical energy
for multiplicity 1
Relative energy Not relevant Higher than Lower than
for multiplicity E(UHF) E(ROHF)
different than 1
Advantages for Not relevant Orbital analysis The calculated
multiplicity is simpler than energy is lower
different than 1 UHF. than E(ROHF)
The total
calculated spin
of the system is
accurate.
Disadvantages for Not relevant The calculated The total calculated
multiplicity energy is higher spin of the system
different than 1 than E(UHF) is not accurate

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