In this study, we present the first integration of the spin-unrestricted similarity-transformed equation-of-motion coupled cluster method (CVS-USTEOM-CCSD) for core-excited and core-ionized states ...

Department of Chemical Engineering, Sargent Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, U.K.

By leveraging principles of topological graph theory, a distributed design strategy is developed ... Notably, our algorithm eliminates the need to solve the coupled Hamilton–Jacobi equation, ...

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