Finite electric field SCF calculations of molecular polarizabilities: Absolute polarizabilities

The finite electric field perturbation method, using the CNDO/II approximation scheme. for calculating molecular polarizability tensor components described earlier is extended. Good general agreement is now obtained both for absolute polarizabilities, as well as polarizability anisotropies. for molecules containing up to five first-row and hydrogen atoms. Calculations are reported for additional axially-symmetric molecules, and also for CH4 and H2O.