Complete to second-orderab initio level calculations of electronicg-tensors

The electronicg-tensors for NO2, CO+ and H2O+ are calculated at the restricted open-shell Hartree-Fock (ROHF) level using the Rayleigh-Schrodinger perturbation approach. All known first- and second-order contributions have been evaluated, including the relativistic mass correction, one- and two-electron spin Zeeman gauge correction terms, and one- and two-electron second-order terms. Substantial code development has been necessary, including an integral routine for computing the two-electron spin-Zeeman gauge correction term.