Abstract
The Spin-Coupled wavefunction is investigated for one-dimensional half- and quarter-filled clusters within the framework of the (Extended) Hubbard model. It is shown that in the large U/ t limit the ground state may be accurately described by a unique configuration of singly occupied weakly overlapping orbitals, the coupling of the electrons spin being properly described by a fully optimized spin eigenfunction. These orbitals may then be used to define effective spin 1/2 hamiltonians whose magnetic coupling integrals are derived from the Spin-Coupled molecular integrals. The same picture emerges for dimerized quarter-filled chains in an Extended Hubbard model, the SC orbitals taking the form of weakly delocalized dimer orbitals.
Sign-in/Register to access full text options 
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 callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
