Topic: Theoretical Research on Interatomic Interactions and Molecular Excited State Absorption Spectra

Speaker: Sheng Xiaowei, Associate Professor Anhui Normal University

Introduction:

Xiaowei Sheng graduated with a Ph.D. from the Institute of Atomic and Molecular Physics of Sichuan University in 2013. He has visited Pohang University of Technology in South Korea and Liberty University in the Netherlands. He is currently an associate professor at Anhui Normal University who is mainly engaged in the research of atomic-molecular interaction and its spectroscopy and other related fields, as the first/corresponding author in Phys. Rev. Lett., Phys. Rev. A, Phys. Rev. B, J. Phys. Chem. More than 30 research papers have been published in journals such as C.

Abstract:

Introduce the recent research progress of our research group on the analytical potential model of the interaction between rare gas atoms and the calculation method of the excited state absorption spectrum of molecular systems. In terms of the interaction potential between atoms: Based on the uniformity of the reduced potential of the interaction between atoms, we have established an analytical potential model for the interaction between atoms of rare gases, and have achieved precision for the entire process of the interaction potential of 21 diatomic molecules. Description [Ref: Phys. Rev. Lett., 125, 253402, 2020]. In terms of molecular excited state absorption spectra: We have combined linear response time-dependent density functional theory and wave function theory to develop a theoretical calculation method for excited state absorption spectra of molecular systems. The amount of calculation is much lower than that of conventional QR-TDDFT calculations. Its application in macromolecular systems is feasible [Ref: J. Phys. Chem. C, 124, 4693, 2020].

Time: May 12, 2021 (Wednesday) 14:00

Report location: Meeting Room 504, Life Science Building

Hosted by: Institute of Atomic and Molecular Physics