Electron Transition Current Density in Molecules. 3. Ab Initio Calculations for Vibrational Transitions in Ethylene and Formaldehyde

摘要

One is motion that reflects linear, laminar current densities that lead to changes in electron probability density in response to nuclear disphacements. A second is circulatory motion of TCD about atomic centers that appears be associated primarily with the lateral motion of two adjacent atomic centers. The latter motion does not lead to changes in electron probability density, but gives rise to magnetic dipole moments, and is likely important in the generation of vibrational circular dichroism intensity.