Abstract
The Hartree-Fock problem is investigated by examining the symmetry properties of the SCF spin-orbitals. These can be classified as closed-shell, open-shell or general spin-orbitals according to the commutation rules satisfied by their one-electron SCF hamiltonians. The effect of symmetry-breaking in spin, angular momentum and space-group symmetry is considered schematically and the physical implications of such symmetry-breaking are discussed.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
