Abstract
A method is presented to remedy the defects of the projection-operator technique for calculating electron resonances in scattering from many-electron targets. Specifically it is shown that if the projection operator (i.e., idempotent) is replaced by a quasi-projection operator such that as any , then the spectrum of is discrete, and can be made to be in essentially a unique correspondence with resonance energies. Relaxation of the idempotency requirement allows us to define two forms of operator. The simpler of the two forms is tested on -H and - systems; the two lowest resonant energies differ by less than 0.01 eV from rigorous results. For many-electron targets it is further argued that replacement of the exact target eigenfunction () by reasonable approximations () in constructing will affect neither the discreteness of the spectrum nor the proximity of its eigenvalues to the resonant energies. Calculations of using two different (open and closed shell) and an angle-independent total wave function as well as a configuration-interaction wave function containing up to 40 configurations are carried out. The difference between open- and closed-shell ground-states results is about 0.02 eV, and the latter yields eV plus a width eV. No other resonances are found below the first excited () He threshold.
- Received 10 December 1971
DOI:https://doi.org/10.1103/PhysRevA.5.1663
©1972 American Physical Society