Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00072
Abstract: We analyzed various possibilities to improve upon the SCAN meta-generalized gradient approximation density functional obeying all known properties of the exact functional that can be satisfied at this level of approximation. We examined the necessity… read more here.
Keywords: exchange energy; single orbital; density; exchange ... See more keywords
Single-orbital realization of high-temperature s± superconductivity in the square-octagon lattice
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.184506
Abstract: The remarkable $s\pm$ superconductivity (SC) is well known in the iron-based superconductors, which are of multi-orbital characteristic. Here we propose a single-orbital realization of this intriguing pairing state with high superconducting critical temperature $T_c$ in… read more here.
Keywords: superconductivity; square octagon; realization; octagon lattice ... See more keywords