Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee, Elsebeth Schroder, Jeffrey B. Neaton | Summary: We introduce a new, general-purpose, range-separated hybrid van der Waals density ph{functional, termed vdW-DF-ahbr,} within the non-empirical vdW-DF method [JPCM 32, 393001 (2020)]. It combines correlation from vdW-DF2 with a screened Fock exchange […]
Continue.. Accurate non-empirical range-separated hybrid van der Waals density functional for complex molecular problems, solids, and surfaces