Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: María Camarasa-Gómez, Ashwin Ramasubramaniam, Jeffrey B. Neaton, Leeor Kronik, | Summary: The accurate description of electronic properties and optical absorption spectra is a long-standing challenge for density functional theory. Recently, the introduction of screened range-separated hybrid (SRSH) functionals for solid-state materials has allowed for the calculation […]
Continue.. Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials