Hector Hernandez Corzo Postdoctoral Research Associate Contact 865.341.0596 | HERNANDEZCHF@ORNL.GOV All Publications Benchmarking third-order cluster perturbation theory for electronically excited states The divide expand consolidate scheme for unrestricted second order Møller–Plesset perturbation theory ground state energies Coupled cluster theory on modern heterogeneous supercomputers The importance of correlation in the molecular orbital picture Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models Key Links Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section
