Journal of Chemical Physics, Vol.102, No.1, 251-253, 1995
Gauge-Invariant Calculation of Nuclear Magnetic Shielding Constants at the Coupled-Cluster Singles and Doubles Level
Keywords:NMR CHEMICAL-SHIFTS;ANALYTIC ENERGY DERIVATIVES;GAUSSIAN-BASIS SETS;MANY-BODY METHODS;LOCALIZED QUANTITIES;PERTURBATION-THEORY;WAVE-FUNCTION;GAS-PHASE;MOLECULES;SUSCEPTIBILITIES