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ccsd_lpno

Build Status

Repo for Psi4Numpy CCSD-LPNO Response property script

This code requires:

  1. Psi4
  2. NumPy
  3. Opt_einsum

This code can compute:

  1. CCSD correlation energy and T-amplitudes
  2. Lambda amplitudes
  3. Hbar matrix elements
  4. A CC linear response function
  5. Dynamic polarizability, optical rotation, length and modified velocity gauge