mp.rst

:mod:`mp` --- Second-Order Møller–Plesset Perturbation Theory

.. module:: mp
   :synopsis: MP2

The :mod:`mp` module implements 2nd order Møller-Plesset perturbation theory from various mean-field references.

Program reference

.. automodule:: pyscf.mp

restricted MP2

.. automodule:: pyscf.mp.mp2
   :members:

unrestricted MP2

.. automodule:: pyscf.mp.ump2
   :members:

MP2 with density fitting

.. automodule:: pyscf.mp.dfmp2
   :members:

GMP2

.. automodule:: pyscf.mp.gmp2
      :members:

MP2 F12

.. automodule:: pyscf.mp.mp2f12_slow
      :members: