Abstract
A new density functional combining the TPSS meta-GGA exchange and the τ1 meta-GGA correlation is studied. The parameters in the τ1 meta-GGA correlation model are reoptimized in a synchronized way to match the original TPSS meta-GGA exchange functional. This reparametrized meta-GGA exchange-correlation functional, named TPSSτ3, yields improved results for hydrogen-bonded and van der Waals complexes compared to Bmτ1 and TPSSτ1.
Sign-in/Register to access full text options 
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.
