<br/>We present a linear-response (LR) extension of the parametric two-electron reduced density matrix (p2RDM) method for modeling electronic excitation energies. The p2RDM approach is a size-extensive modification of configuration with doubles (CID) which maintains the Hermiticity and approximate N-representability of the RDMs. It yields very similar ground state energy to that from coupled cluster with singles and doubles (CCSD). We demonstrate that the excitation energies from LR-p2RDM are also similar to those from equation of motion (EOM)-CCSD.

Linear response formulation for the parametric two-electron reduced-density matrix method

ACS Spring 2022

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