Møller-Plesset Perturbation Theory#
Møller-Plesset Perturbation Theory (MPPT) is a widely used method in quantum chemistry to account for electron correlation effects in many-body systems. It is based on perturbation theory and provides a systematic way to improve upon the Hartree-Fock approximation.
Available Møller-Plesset Tasks#
Task |
Description |
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Second-order Møller–Plesset perturbation theory. |
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Unrestricted MP2; allows for spin-contaminated open-shell reference states. |
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Third-order Møller–Plesset perturbation theory. |
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Fourth-order MP including only Singles, Doubles, and Quadruples contributions. |
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Full fourth-order Møller–Plesset perturbation theory. |