Influence of intramolecular coupling parameters changes on dipole moments and macroscopic polarization

Abstract:

We have studied the effects of the changes in the intramolecular coupling parameters S (height) to which the vibronic coupling occurs), V0 (energetic difference between the minima of the potential curves) and v (coupling parameter), considering a two levels system described by two crossed harmonic potential curves. This work has been divided into two particular cases: a) simultaneous changes in S and v and b) simultaneous changes in S and V 0. In the first case we have observed an important increment of the polarization values for low values of v. In the particular case of resonance peak, an important increment of polarization values is observed with the increment of v. In the second case, an abruptly increasing in polarization values is observed to high values of S and low values of V0. In the particular case of resonance peak we observed the contrary behavior of the precedent case: a notable decreasing of the polarization values is observed with the increasing in v. These changes are associated to the modifications in the overlapping integral and consequently in the dipole moments of the states in the new coupled basis.

Año de publicación:

2004

Keywords:

• Macroscopic polarization
• Dipole moments
• Crossed harmonic curves
• Coupling parameters

Fuente:

scopus