Programme

I.4 -- Invited, VCTP-50

Date: Monday, 4 August 2025

Time: 16:00 - 16:40

Understanding Quantum Resonance through IR spectroscopy and Ab Initio Anharmonic algorithms

Jer-Lai Kuo

Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan

Normal modes and harmonic picture form a base to understand vibrational Hamiltonian. But Vibrational motions of molecules are intrinsically “anharmonic” and complex vibrational features in mid-IR associated with CH/NH/OH are often attributed to anharmonic coupling known as Fermi Resonance (FR). Our group has been devoted to develop ab initio anharmonic algorithms (A3) so that we can construct simple vibrational exciton models without any fitting parameters to understand FR and analyze experimental spectra of solvated H3O+ and CH3NH3+ in mid-IR.

Presenter: Kuo Jer-Lai