- Table of coefficients and partial sums
- Semilogarithmic plot of coefficients
- Plot of scaled coefficients
- Convergence of summation approximants
- Singularities of approximants in complex plane
- Table of singularities with their weights
- Plot of the energy function found by summation of the series
- Known inaccuracies

Examples | a1 | a2 | a8 | a16 | a22 | a30 | a38 | a44 | a45 | a51 | a62 | a69 | a75 | a83 | a84 | a85 | a86 | a87 | a88 | a90 | a91 |

Molecule | Ar | BH | BH | BH | BH | BH | BH | BO^{+} | C_{2} | CN^{+} | N_{2} | HF | HF | HCl | HCl | F^{-} | Cl^{-} | Cl^{-} | Ne | OH^{-} | SH^{-} |

Basis | aug-cc-pVDZ | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ |

Examples of MP seriesMathematica programsWork in UMassDUnpublished reports |

Examples | a1 | a2 | a8 | a16 | a22 | a30 | a38 | a44 | a45 | a51 | a62 | a69 | a75 | a83 | a84 | a85 | a86 | a87 | a88 | a90 | a91 |

Molecule | Ar | BH | BH | BH | BH | BH | BH | BO^{+} | C_{2} | CN^{+} | N_{2} | HF | HF | HCl | HCl | F^{-} | Cl^{-} | Cl^{-} | Ne | OH^{-} | SH^{-} |

Basis | aug-cc-pVDZ | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ | aug-cc-pVDZ |

- We always sum the series
*F*(*z*) = MP1 + (MP2-MP1)*z*+ (MP3-MP2)*z*^{2}+ ... rather than a complete Møller-Plesset series*E*(*z*) = MP0 + (MP1-MP0)*z*+ (MP2-MP1)*z*^{2}+ ... where*F*(*z*) is expressed through*E*(*z*) by a formula*F*(*z*) = MP0 + [*E*(*z*) - MP0]*z*^{-1}. - On the page, table of singularities with their weights for
*differential*approximants is absent. - The lowest excited energy level shown on the plot of the function
*E*(*z*) was calculated using data for "HOMO-LUMO gap in canonical RHF orbitals" from the paper J. Chem. Phys., vol. 112, p. 9213. It likely corresponds to*z*= 0 rather than*z*= 1 as marked on the plot.

Examples of MP seriesMathematica programsWork in UMassDUnpublished reports |

Designed by A. Sergeev.