has subject area 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics (FoR) 0306 Physical Chemistry (incl. Structural) (FoR) 0307 Theoretical and Computational Chemistry (FoR) Chemical Physics (Science Metrix)
keywords ASYMPTOTIC-BEHAVIOR CHARGE CHEMICAL-REACTIVITY CORRELATION POTENTIALS Chemistry Chemistry, Physical DENSITY-FUNCTIONAL THEORY EIGENVALUES FRONTIER-ELECTRON THEORY Fermi-Amaldi Fukui function KOHN-SHAM THEORY Physical Sciences Physics Physics, Atomic, Molecular & Chemical Science & Technology VIRTUAL ORBITALS WAVE-FUNCTIONS Zhao-Morrison-Parr procedure asymptotic corrections density-functional theory excitation energies orbital energy differences