THE UNRESTRICTED HARTREE-FOCK METHOD

Journal Article · Sat Jul 01 00:00:00 EDT 1961 · Proc. Phys. Soc. (London)

DOI:https://doi.org/10.1088/0370-1328/78/1/316· OSTI ID:4843484

Marshall, W

The unrestricted Hartree-Fock method is a convenient method of calculating neutron form factors and hyperfine interactions, but because the method gives wave functions which are not eigenfunctions of S2, the validity of it must be questioned. It is shown that the unrestricted Hartree-Fock method gives spin densities which are approximately correct to first order provided certain exchange energies are small relative to promotion energies. Furthermore, it is shown that the wave functions obtained must be used directly and that it is a poor approximation to project out the unwanted pants after the energy minimization procedure has been performed. (auth)

• Research Organization: Atomic Energy Research Establishment, Harwell, Berks, Eng.
• NSA Number: NSA-15-028223
• OSTI ID: 4843484
• Journal Information: Proc. Phys. Soc. (London), Journal Name: Proc. Phys. Soc. (London) Vol. Vol: 78
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

EIGENFUNCTIONS
ELEMENTARY PARTICLES
ENERGY
EQUATIONS
FORM FACTOR
HARTREE-FOCK METHOD
HYPERFINE STRUCTURE
INTERACTIONS
MOTION
NEUTRONS
NUCLEAR THEORY
PHYSICS
SCATTERING
SPIN
VELOCITY
WAVE MECHANICS