A COMPARISON OF AB-INITIO OPTICAL ROTATIONS OBTAINED WITH STATIC AND DYNAMIC METHODS

Optical rotations of several chiral molecules have been calculated wit h both static and dynamic methods and these predictions are compared t o the experimental optical rotations. The optical rotation signs predi cted by the static method are the same as those predicted by the dynam ic method with London orbitals, except for one molecule. The optical r otations predicted by these two methods compare favorably with the exp erimental observations. Nevertheless, the ability to calculate wavelen gth-dependent and gauge-origin-independent optical rotations makes the use of the dynamic method with London orbitals more attractive. (C) 1 998 Elsevier Science B.V. All rights reserved.