Correlated dipole polarizabilities and dipole moments of the halides HX and CH 3 X (X=F, Cl and Br)

We report values of the correlated dynamic dipole polarizability for the halides HX and CH3X (X = F, Cl and Br). The polarizabilities are calculated within the second-order polarization propagator approximation (SOPPA). The correlated results are in much better agreement with the available experimental results, compared to RPA. We also report the second-order dipole moments using both the “relaxed” and “unrelaxed” MP2 density matrices. The relaxed results are in better agreement with experiment.