Accuracy of metaGGA functionals in describing transition metal fluorides
DB Tekliye, G Sai Gautam - Physical Review Materials, 2024 - APS
Accurate predictions of material properties within the chemical space of transition metal
fluorides (TMFs), using computational frameworks such as density functional theory (DFT), is …
fluorides (TMFs), using computational frameworks such as density functional theory (DFT), is …