ABSTRACT
A new variant of Perdew–Burke–Ernzerhof (PBE) generalised gradient approximation is here developed and named PBEtrans. Based on a simple gradient-regulated connection, this new exchange density-functional, when combined with the PBE correlation, is able to combine the revPBE and PBE features in describing iono-covalent and weak interactions, respectively. Indeed PBEtrans mixes the performances of both parent density-functionals providing overall better performances.
Acknowledgments
This paper is dedicated to Andreas Savin whose curiosity for life and science inspired many works and enjoyable discussions.
Disclosure statement
No potential conflict of interest was reported by the authors.