Code Author: Shannon E. Houck
Updated: Nov. 21, 2019
This code is a Python package that uses Psi4’s DETCI module to run Fock-space CI (RAS-nSF-IP/EA) calculations. The method handles spin and spatial degeneracies in molecular systems by solving the orbitals of a reference state that can be well-represented by a single determinant, and then using non-particle-conserving and non-spin-conserving operators to obtain the desired state.