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Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding-Based Equation-of-Motion Coupled-Cluster Method

Electronic Structure - Methods Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: B. Jangid, M. R. Hermes, and L. Gagliardi
  • Publication Number: 477
  • Year: 2024
  • Journal: J. Phys. Chem. Lett.

Full Citation

B. Jangid, M. R. Hermes, and L. Gagliardi, Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding-Based Equation-of-Motion Coupled-Cluster Method, J. Phys. Chem. Lett., 2024, 15, 5954-5963, DOI: 10.1021/acs.jpclett.4c00957