All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems.
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DOI: 10.1021/acs.jctc.0c00704
Abstract: We describe an all-electron G0W0 implementation for periodic systems with k-point sampling implemented in a crystalline Gaussian basis. Our full-frequency G0W0 method relies on efficient Gaussian density fitting integrals and includes both analytic continuation and… read more here.
Keywords: gaussian based; based g0w0; electron gaussian; core excitation ... See more keywords