We are proud to announce the posting of our manuscript “Enhancing the efficiency of density functionals with a novel iso-orbital indicator” to the arXiv pre-print server.
Here we describe a new iso-orbital indicator that can significantly enhance the numerical efficiency of meta-GGAs and higher level functionals. We then use this to construct two proof of concept meta-GGA functionals by substituting in the new indicator to give faster convergence with respect to numerical grid than the parent functionals.
You can download the latest version from its arXiv page here.