A state-specific frozen natural orbital EOM-CCSD method with a perturbative correction reproduces canonical excitation energies with MAE below 0.02 eV at reduced cost.
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A reduced cost equation of motion coupled cluster method for excited states based on state-specific natural orbitals: Theory, Implementation, Benchmark
A state-specific frozen natural orbital EOM-CCSD method with a perturbative correction reproduces canonical excitation energies with MAE below 0.02 eV at reduced cost.