Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding Based Equation-of-Motion Coupled-Cluster Method
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This data includes the HF-optimized orbitals, coupled cluster amplitudes (T1, T2), and EOM-CCSD left and right eigenvectors at the CC-PCVDZ basis set. It can be used to reproduce the data for "Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding Based Equation-of-Motion Coupled-Cluster Method."
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Zenodo创建时间：
2024-05-26
