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-LAS-VQE

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)

Features: 

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:: https://github.com/GagliardiGroup/las-qpe

References:: JCTC 2024,https://pubs.acs.org/doi/10.1021/acs.jctc.3c01283