Abstract
Wavefunctions which are singly excited with respect to a given multiconfiguration wavefunction in the sense of the generalized Brillouin theorem are formed and the extended CI problem is solved by variation or perturbation methods. After that the orbitals are properly contracted and the process is repeated until it converges. Computational examples are given for the atoms He, Li and Be, involving pair excitation, spin-projected HF and all-single-excitation type wavefunctions.
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