Unmasking Static Correlation Error in Hybrid Kohn–Sham Density Functional Theory - Zhang, Dayou; Truhlar, Donald G (Journal of chemical theory and computation, 2020)
Keywords: Chemical calculations; Correlation; Density functional theory; Diatomic molecules; Electron correlation; Energy; Errors; Exchanging; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Potential energy; Wave function