Connections are established between the treatment of doubly excited states in He, using hyperspherical coordinates and the model of two particles on a sphere related to the use of dynamical group theory. The relevance of this for model wavefunctions of the type antisymmetrized geminal power (AGP) or separated pair approximation (SPA) is shown through the analysis and numerical applications of an effective equation for the valence geminal in Be and Mg.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics