Time-dependent local-to-normal mode transition in triatomic molecules

TL;DR

This paper investigates the time-dependent transition from local to normal vibrational modes in triatomic molecules, revealing it as a polyad breaking phenomenon analyzed through algebraic and nonlinear dynamics methods.

Contribution

It introduces a time-dependent framework for understanding local-to-normal mode transitions in triatomic molecules using algebraic and nonlinear equations.

Findings

LNT identified as a polyad breaking phenomenon

Dynamics modeled via nonlinear Ermakov equation

Application demonstrated on multiple molecules

Abstract

Time-evolution of the vibrational states of two interacting harmonic oscillators in the local mode scheme is presented. A local-to-normal mode transition (LNT) is identified and studied from the time dependent point of view. The LNT is established as a polyad breaking phenomenon from the local point of view for the stretching degrees of freedom in a triatomic molecule. This study is carried out in the algebraic representation of bosonic operators. The dynamics of the states are determined via the solutions of the corresponding nonlinear Ermakov equation. Application of this formalism to H$_2$O, CO$_2$, O$_3$ and NO$_2$ molecules in the adiabatic, sudden and linear regime is considered.