A comparison of ab initio optical rotations obtained with static and dynamic methods

Optical rotations of several chiral molecules have been calculated with both static and dynamic methods and these predictions are compared to the experimental optical rotations. The optical rotation signs predicted by the static method are the same as those predicted by the dynamic method with London orbitals, except for one molecule. The optical rotations predicted by these two methods compare favorably with the experimental observations. Nevertheless, the ability to calculate wavelength-dependent and gauge-origin-independent optical rotations makes the use of the dynamic method with London orbitals more attractive.