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Extended Koopmans' theorem in the adiabatic connection formalism: Applied to doubly hybrid density functionals

Yonghao Gu1, Xin Xu1

  • 1Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Ministry of Education Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University, Shanghai 200433, China.

The Journal of Chemical Physics
|August 6, 2020
PubMed

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