Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals.

@article{Limacher2014SimpleAI,
  title={Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals.},
  author={Peter A. Limacher and Paul W. Ayers and P. A. Johnson and Stijn De Baerdemacker and Dimitri Van Neck and Patrick Bultinck},
  journal={Physical chemistry chemical physics : PCCP},
  year={2014},
  volume={16 11},
  pages={
          5061-5
        }
}
A new multireference perturbation approach has been developed for the recently proposed AP1roG scheme, a computationally facile parametrization of an antisymmetric product of nonorthogonal geminals. This perturbation theory of second-order closely follows the biorthogonal treatment from multiconfiguration perturbation theory as introduced by Surján et al., but makes use of the additional feature of AP1roG that the expansion coefficients within the space of closed-shell determinants are… CONTINUE READING

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