Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction

@article{Nooijen2006OrbitalIS,
  title={Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction},
  author={M. Nooijen and R. L. Roy},
  journal={Journal of Molecular Structure-theochem},
  year={2006},
  volume={768},
  pages={25-43}
}
Abstract A single-reference coupled electron pair approximation is proposed that is exact for two-electron systems, rigorously size-extensive, and invariant under rotations of the occupied and virtual orbitals amongst themselves. In addition, an alternative framework is presented to derive renormalized perturbative corrections to single and double excitation approaches, which are likewise rigorously extensive and invariant under rotations of occupied and virtual orbitals. The new methodology… Expand
33 Citations
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