Davydov Ansatz as an efficient tool for the simulation of nonlinear optical response of molecular aggregates

• Main Authors: Chernyak, Vladimir Y., Zhao, Yang, Gelin, Maxim F., Sun, Ke-Wei
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2015
• Subjects: DRNTU::Science::Chemistry::Physical chemistry::Molecular structure and bonding
• Online Access: https://hdl.handle.net/10356/79390; http://hdl.handle.net/10220/25928

We have developed a variational approach to the description of four-wave-mixing signals of molecular aggregates, in which the third-order response functions are evaluated in terms of the Davydov Ansätze. Our theory treats both singly and doubly excited excitonic states, handling the contributions du...