Abstract
AbstractA new derivation is given for the Waller–Hartree–Fock double‐determinantal spatial wave function. One starts from the single‐determinant wave function in which a orbitals are doubly occupied, and decomposes it into a sum of products of spatial and spin functions. The spatial product of the first genealogical spin eigenfunction is a double‐determinantal function. The derivation is based on the simple form of U1ƒ(P) when the representation matrix is obtained from the genealogical spin eigenfunction.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.