A method to calculate Franck-Condon factors in terms of the tomographic probability representation

TL;DR

This paper presents a novel quantum mechanical method using tomographic probability representation to calculate Franck-Condon factors in polyatomic molecules, accommodating various molecular configurations and external influences.

Contribution

It introduces a new approach based on quantum tomograms for calculating Franck-Condon factors, extending applicability to complex molecular systems and different Dushinsky matrices.

Findings

Effective calculation of transition probabilities under sudden molecular changes

Applicability to molecules with any number of atoms

Handles various Dushinsky matrix types

Abstract

We introduce a new method to calculate Franck-Condon factors in polyatomic molecules that is based on the tomographic probability approach to quantum mechanics. This approach is implemented to calculate transition probabilities in various systems under an instantaneous change of frequency and equilibrium position of nuclei in a molecule by an external force. The problem is considered for different types of the Dushinsky matrix and for any quantity of atoms in a molecule.