Comparison and assessment of different forms of open shell perturbation theory

@inproceedings{Murray1992ComparisonAA,
  title={Comparison and assessment of different forms of open shell perturbation theory},
  author={Christopher William Murray and Nicholas C. Handy},
  year={1992}
}
Existing methods for the calculation of the correlation energy of open shell atoms and molecules using Mo/ller–Plesset perturbation theory are discussed with special emphasis on recent advances in methods based on the restricted Hartree–Fock wave function. The convergence of the Mo/ller–Plesset series is examined to high order for a number of small systems and it is shown that some of the methods offer significant advantage over traditional unrestricted Mo/ller–Plesset theory. The optimized… CONTINUE READING