.. _icmpspt: :mod:`icmpspt` --- Internal-contracted MPS perturbation method ************************************************************** The :mod:`icmpspt` module is an interface to a multi-reference perturbation method that uses DMRG (MPS) wavefunctions as the zeroth order wavefunction. The DMRG wavefunction needs to be generated using the :mod:`dmrgscf` solver. The ic-MPSPT solver can be obtained from Sandeep Sharma (sanshar@gmail.com). Program reference ================= .. automodule:: pyscf.icmpspt.icmpspt :members: