Journal of Chemical Physics, Vol.102, No.1, 285-293, 1995
Gauge-Invariant Basis-Sets for Magnetic Property Calculations
Keywords:NMR CHEMICAL-SHIFTS;COUPLED-HARTREE-FOCK;CARTESIAN GAUSSIAN FUNCTIONS;MOLECULAR INTEGRALS;SCF THEORIES;LOCALIZED QUANTITIES;SHIELDING CONSTANTS;PERTURBATION-THEORY;POTENTIAL-ENERGY;COMPLEXES