Abstract
The OCEAN code for calculating valence- and core-level spectra using the Bethe-Salpeter equation is briefly reviewed. OCEAN is capable of calculating optical absorption, 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. OCEAN is built on top of a plane-wave, pseudopotential, density-functional theory foundation, and calculations are shown for systems ranging in size up to 7 nm3.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
