Abstract
The nonlinear optical response to the strong static external electric field is investigated by the quantum Monte Carlo method in the Pariser-Parr-Pople model for trans-polyacetylene. The external field drives the electronic and lattice structures from a neutral dimerized state, through a charge-density-wave-like structure and to a charged soliton pairlike structure as its magnitude is increased. The external field dependence of the molecular polarization is strongly correlated to the evolution of these two structures. The quantum fluctuations of electrons drastically change the polarizability and hyperpolarizabilities when the parameters appropriate for trans-polyacetylene are used. The quantum lattice fluctuations have only negligible effects on them in this model in contrast to the case of the Su-Schrieffer-Heeger model.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
