@article{gill_why_1988, title = {Why does unrestricted Møller–Plesset perturbation theory converge so slowly for spin‐contaminated wave functions?}, volume = {89}, pages = {7307--7314}, number = {12}, journaltitle = {The Journal of Chemical Physics}, shortjournal = {J. Chem. Phys.}, author = {Gill, Peter M. W. and Pople, John A. and Radom, Leo and Nobes, Ross H.}, date = {1988-12-15} } @article{sergeev_nature_2005, title = {On the nature of the Møller-Plesset critical point}, volume = {123}, pages = {064105}, number = {6}, journaltitle = {The Journal of Chemical Physics}, shortjournal = {J. Chem. Phys.}, author = {Sergeev, Alexey V. and Goodson, David Z. and Wheeler, Steven E. and Allen, Wesley D.}, urldate = {2020-06-10}, date = {2005-08-08}, note = {Publisher: American Institute of Physics}, file = {Snapshot:/home/amarie/Zotero/storage/5N2L8RQ6/1.html:text/html} } @article{sergeev_singularities_2006, title = {Singularities of Møller-Plesset energy functions}, volume = {124}, pages = {094111}, number = {9}, journaltitle = {The Journal of Chemical Physics}, shortjournal = {J. Chem. Phys.}, author = {Sergeev, Alexey V. and Goodson, David Z.}, date = {2006-03-07} } @article{olsen_divergence_2000, title = {Divergence in Møller–Plesset theory: A simple explanation based on a two-state model}, volume = {112}, shorttitle = {Divergence in Møller–Plesset theory}, pages = {9736--9748}, number = {22}, journaltitle = {The Journal of Chemical Physics}, shortjournal = {J. Chem. Phys.}, author = {Olsen, Jeppe and Jørgensen, Poul and Helgaker, Trygve and Christiansen, Ove}, date = {2000-05-31} } @article{loos_ground_2009, title = {Ground state of two electrons on a sphere}, volume = {79}, abstract = {We have performed a comprehensive study of the singlet ground state of two electrons on the surface of a sphere of radius R. We have used electronic structure models ranging from restricted and unrestricted Hartree-Fock theories to explicitly correlated treatments, the last of which leads to near-exact wave functions and energies for any value of R. Møller-Plesset energy corrections (up to fifth-order) are also considered, as well as the asymptotic solution in the large-R regime.}, pages = {062517}, number = {6}, journaltitle = {Physical Review A}, shortjournal = {Phys. Rev. A}, author = {Loos, Pierre-François and Gill, Peter M. W.}, date = {2009-06-30} } @article{gill_deceptive_1986, title = {Deceptive convergence in Møller-plesset perturbation energies}, volume = {132}, abstract = {Meller-Plesset perturbation calculations ({MPn}) up to fiftieth order, within both the restricted ({RHF}) and unrestricted Hartree-Fock ({UHF}) frameworks, have been used to examine the He2+2 ground-state potential curve. The bond lengths of the equilibrium and transition structures have been optimized at all orders of perturbation theory. It is found that {RMP} n describes the homolytic dissociation better than {UMPn} for all n {\textgreater} 2. This unexpected behaviour may be attributed to spin contamination in the {UHF} wavefunction. The {UMPn} barriers deceptively appear convergent for small n and the results may be indicative of dangers inherent generally in using the {UMP} approach with significantly spin-contaminated wavefunctions.}, pages = {16--22}, number = {1}, journaltitle = {Chemical Physics Letters}, shortjournal = {Chemical Physics Letters}, author = {Gill, Peter M. W. and Radom, Leo}, date = {1986-11-28}, langid = {english} } @article{stillinger_mollerplesset_2000, title = {Møller–Plesset convergence issues in computational quantum chemistry}, volume = {112}, pages = {9711--9715}, number = {22}, journaltitle = {The Journal of Chemical Physics}, shortjournal = {J. Chem. Phys.}, author = {Stillinger, Frank H.}, date = {2000-05-31} }