Journal of Chemical Physics, Vol.102, No.8, 3312-3321, 1995
One-Electron Properties of Several Small Molecules Calculated Using the Local-Density Approximation Within Density-Functional Theory
Keywords:DIPOLE MOMENT DERIVATIVES;HARTREE-FOCK LIMIT;BASIS-SETS;CORRELATED WAVEFUNCTIONS;VIBRATIONAL FREQUENCIES;HYPERFINE-STRUCTURE;VALENCE ORBITALS;POLARIZABILITIES;SPECTROSCOPY;NEON