Abstract
The open-shell restricted Hartee-Fock (RHF) method is shown to be unstable with respect to spin-flipping variations for arbitrary spin s ≠ 0. Introducing the spin-purity restriction on the wavefunction variation removes this universal instability.
Original language | English |
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Pages (from-to) | 531-534 |
Number of pages | 4 |
Journal | Chemical Physics Letters |
Volume | 115 |
Issue number | 6 |
DOIs | |
State | Published - 19 Apr 1985 |
Externally published | Yes |