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We report the implementation of the real-time equation-of-motioncoupled-cluster (RT-EOM-CC) cumulant Green's function method [J. Chem. Phys.152, 174113 (2020)] within the Tensor Algebra for Many-body Methods (TAMM)infrastructure. TAMM is a massively parallel heterogeneous tensor librarydesigned for utilizing forthcoming exascale computing resources. The two-bodyelectron repulsion matrix elements are Cholesky-decomposed, and we imposedspin-explicit forms of the various operators when evaluating the tensorcontractions. Unlike our previous real algebra Tensor Contraction Engine (TCE)implementation, the TAMM implementation supports fully complex algebra. TheRT-EOM-CC singles (S) and doubles (D) time-dependent amplitudes are propagatedusing a first-order Adams--Moulton method. This new implementation showsexcellent scalability tested up to 500 GPUs using the Zn-porphyrin moleculewith 655 basis functions, with parallel efficiencies above 90\% up to 400 GPUs.The TAMM RT-EOM-CCSD was used to study core photo-emission spectra in theformaldehyde and ethyl trifluoroacetate (ESCA) molecules. Simulations of thelatter involve as many as 71 occupied and 649 virtual orbitals. The relativequasiparticle ionization energies and overall spectral functions agree wellwith available experimental results.

Real-time Equation-of-Motion Coupled-Cluster Cumulant Green's Function  Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for  Many-body Methods Infrastructure