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@jattakumi jattakumi commented Sep 26, 2024

Description

This PR implements the "symmetric" CCSD linear response function to compute polarizability within PyCC.

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Constructed the "symmetric" linear response function within 'ccresponse.py' using the perturbed amplitudes.
  • A test case (test_038_lr_sym.py) was used to compute the polarizability of H20/aug-cc-pvdz.

Status

  • Ready to go

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