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An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene https://arxiv.org/abs/2402.08776 #physicschemph
An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene https://arxiv.org/abs/2402.08776 #physicschemph