Skip to main content


This code performs QPE-LAS-UCC and DI-LAS-UCC calculations using MRH for LASSCF calculations and Qiskit for statevector simulations.


Developer:¬†Ruhee D’Cunha (University of Chicago)


LAS-UCC total energies using the following methods of state preparation:

  1. Direct Initialization of a LAS wave function
  2. Quantum Phase Estimation using LAS Hamiltonians
  3. Direct Initialization of a Hartree-Fock wave function

Git Link::

References:: JCTC 2024,