Advanced density functionals based on model exchange holes for a wide range of molecular and sold state systems - Patra, Abhilash; Samal, Prasanjit (Bhubaneswar: NISER, 2021)
Keywords: BANDGAP CALCULATION; DENSITY FUNCTIONAL THEORY (DFT); PARABOLIC QUANTUM DOTS; THE HOHENBERG -KOHN FORMULATION; LOCAL DENSITY APPROXIMATION (LDA); DENSITY MATRIX EXPANSION; PARAMETERIZED SEMILOCAL EXCHANGE; LOCAL - DENSITY LINEAR RESPONSE; MOLECULAR AND SOLID STATE SYSTEMS; MODEL EXCHANGE HOLE