CCSD Quadratic Response Function #75
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Merging cPNO++ implementation to main
…/pycc into cc_sim_quadresponse Merging CCSD quadratic reponse function into main
lothian
approved these changes
Apr 9, 2024
added 16 commits
April 11, 2024 10:23
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Description
Implementation of the CCSD quadratic response function (QR) to compute first electric dipole hyperpolarizability (Second Harmonic Generation and Optical Refractivity) with a local filter (simulation code)
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