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Ocean
Jul 20, 2023
BSE code for core spectroscopy
OCEAN is BSE code for core spectroscopy.
OCEAN is a code for calculating near-edge x-ray spectra using the Bethe-Salpeter equation BSE is briefly reviewed. The code is capable of calculating UV/Vis, near-edge x-ray absorption or non-resonant scattering, and resonant inelastic x-ray scattering, requiring only the structure of the material as input. Improved default behavior and reduced input requirements are detailed as well as new capabilities, such as incorporation of final-state-dependent broadening, finite-temperature dependence, and flexibility in the density-functional theory exchange-correlation potentials.
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