Improving the Efficiency of Beyond-RPA Methods within the Dielectric Matrix Formulation: Algorithms and Applications to the A24 and S22 Test Sets.
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DOI: 10.1021/acs.jctc.7b00837
Abstract: Within a formalism based on dielectric matrices, the electron-hole time-dependent Hartree-Fock (eh-TDHF) and the adiabatic connection second-order screened exchange (AC-SOSEX) are promising approximations to improve ground-state correlation energies by including exchange effects beyond the random… read more here.
Keywords: test set; matrix; s22 test; test ... See more keywords