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Rapid Estimation of Basis Set Error and Correlation Energy Based on Mulliken Charges and Mulliken Matrix with the Small 6-31g* Basis Set

Sándor Kristyán

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Key concepts: Mulliken population analysis, Basis set, Chemistry, Ground state, Atom (system on chip), Bond length, Atomic physics, Population

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Rapid Estimation of Basis Set Error and Correlation Energy Based on Mulliken Charges and Mulliken Matrix with the Small 6-31g* Basis Set — Research Paper | ScholarLens