Published now in JCTC! A new family of nonempirical functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH
-> Calculations with @orca-qc-official.bsky.social
-> Work presented at
@dft2026eus.bsky.social
-> Collaboration: @ua.es, @ctm-itodys.bsky.social, and @chimieparistechpsl.bsky.social
pubs.acs.org
A New Family of Nonempirical Range-Separated Functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH
Abstract. We extend the restored-regularized Strongly Constrained
and Appropriately
Normed (r2SCAN) nonempirical exchange-correlation functional
to the Ran