Multi-configurational self-consistent field

In computational chemistry, the Multi-configurational self-consistent field or MCSCF method is a post-Hartree-Fock method which uses a linear combination of CSFs to approximate the true electronic wavefunction of an atom or molecule. In an MCSCF calculation, the set of CSF coefficients is varied along with the sets of basis function coefficients associated with each CSF in order to obtain the total electronic wavefunction with the lowest possible energy.