2016•Computational and Theoretical ChemistryRequires access

On the complete basis set extrapolation procedures for the interaction energies

Xiaowei Sheng, Fengfei Hu, Shifeng Qian

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Key concepts: Counterpoise, Extrapolation, Chemistry, Basis (linear algebra), Basis set, Interaction energy, Limit (mathematics), Energy (signal processing)

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On the complete basis set extrapolation procedures for the interaction energies — Research Paper | ScholarLens