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Abstract
The local pair natural orbital approach, which has been combined with two post-Hartree-Fock methods, CEPA-1 and pCCSD-1a, recently, is assessed for its applicability to large real-world problems without abundant computing resources. Test cases are selected based on being representative for computational chemistry problems and availability of reliable reference data. Both methods show a good performance and can be applied easily to systems of up to 100 atoms when very accurate energies are sought after. A considerable demand for basis sets of good quality has been identified and practical guidelines to satisfy this are mapped out.
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