Configuration-interaction theory optimization methods

Hartree -Fock or Self-Consistent Field (SCF) Method Spin Optimized Self-Consistent Field Method Configuration Interaction Iterative Natural Orbital Method Multi-Configuration SCF Many Body Perturbation Theory Valence-Bond Method Pair-Function or Geminal Method... 

The relative calculational efficiency of EOM-Green s function methods and conventional configuration interaction methods is a difficult matter to assess, since it is intimately bound to the question of optimization of computer codes. Our major emphasis has been on determining the requirements for an accurate and reliable EOM theory. Of necessity, the program optimization has to an extent taken a back seat to the constant changes introduced in the theory in the course of this work. However, the demonstrated ability to obtain accurate results for the simple ionization potentials of small molecules with very small primary operator spaces bodes well for the EOM method. 

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