Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee, Elsebeth Schroder, Jeffrey B. Neaton | Summary: We define, test, and illustrate use of a range-separated (screened) hybrid, termed vdW-DF2-ahbr and abbreviated AHBR, that uses the second-generation nonlocal-correlation formulation [PRB {bf 82}, 081101(R) (2010)] within the van der Waals density […]
Continue.. A second-generation range-separated hybrid van der Waals density functional