An approach for modeling the damping contribution in the dipole interaction model is addressed. Contrary to the Thole model, the interaction tensors in this approach remain traceless. Although the model can describe the frequency-dependent molecular polarizability with one parameter for each element describing the frequency dependence, a significant improvement is found by dividing the molecules into aliphatic, aromatic, and molecules containing the element B.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry