2018Journal of Theoretical and Computational ChemistryRequires access

Rotational excitations of diatomic molecule with delta potential barrier

Sonia Lumb, Shalini Lumb, Vinod Prasad

Open publisher page 1 citations

Abstract

The interatomic interactions in a diatomic molecule can be fairly modeled by the Morse potential. Short range interactions of the molecule with the neighboring environment can be analyzed by modifying this potential by delta functions. Energy spectra and radial matrix elements have been calculated using an accurate nine-point finite-difference method for such an interacting homonuclear diatomic molecule. The effect of the strength and position of a single delta function interaction on the alignment of this molecule has been studied. The dependence of alignment on the strength of applied field has also been analyzed.

About this research paper

What this paper is about

The interatomic interactions in a diatomic molecule can be fairly modeled by the Morse potential. Short range interactions of the molecule with the neighboring environment can be analyzed by modifying this potential by delta functions. Energy spectra and radial matrix elements have been calculated using an accurate nine-point finite-difference method for such an interacting homonuclear diatomic molecule. The effect of the strength and position of a single delta function interaction on the alignment of this molecule has been studied. The dependence of alignment on the strength of applied field has also been analyzed.

Why it matters

OpenAlex reports 1 citations for this work. Citation counts describe recorded attention and do not establish research quality.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

The interatomic interactions in a diatomic molecule can be fairly modeled by the Morse potential. Short range interactions of the molecule with the neighboring environment can be analyzed by modifying this potential by delta functions. Energy spectra and radial matrix elements have been calculated using an accurate nine-point finite-difference method for such an interacting homonuclear diatomic molecule. The effect of the strength and position of a single delta function interaction on the alignment of this molecule has been studied. The dependence of alignment on the strength of applied field has also been analyzed.

Key concepts: Homonuclear molecule, Diatomic molecule, Morse potential, Chemistry, Molecule, Atomic physics, Potential energy, Molecular physics

Related papers

Back to paper searchBrowse research topicsOriginal source
Rotational excitations of diatomic molecule with delta potential barrier — Research Paper | ScholarLens