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Journal of Chemical Theory and Computation|May 13, 2020
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and BenchmarkingManuel Hodecker, Sebastian M Thielen, Junzi Liu, et al.
The Journal of Chemical Physics|April 23, 2021
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectraSebastian M Thielen, Manuel Hodecker, Julia Piazolo, et al.
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