Approximate resolutions of the Schrodinger theory applying the WKB approximation for certain diatomic molecular interactions.

J Mol Model

Materials Science and Informatics Laboratory, Faculty of Science, University of Djelfa, 17000, Djelfa, Algeria.

Published: September 2024

AI Article Synopsis

  • The study emphasizes the importance of analyzing energetic bond spectra of diatomic compounds to assess their characteristics and properties.
  • It employs the Schrodinger equation and Kratzer Feus potential to calculate the spectral properties and bound energies of these compounds.
  • Using the WKB approximation and Mathematica software, the study calculates bound states for various diatomic molecules, confirming the results through comparisons with previous research findings.

Article Abstract

Context: The Analyzing of energetic bond spectra of diatomic compounds is crucial to understanding their qualities because it allows one to evaluate their attributes. Diatoms compounds' spectral properties and bound energies are presented in this study. These energies are found by solving the Schrodinger equation while making consideration of the employing of the Kratzer Feus potential.

Method: This study focuses on the calculation of bound states for diatomic molecules using the WKB approximation. The final energy spectrum equation is utilized to compute the bound states of specific diatomic molecules for varying quantum numbers n and l through the utilization of the Mathematica software. The method produced the desired and anticipated results, as shown by a comparison of the eigenvalue results with earlier studies.

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Source
http://dx.doi.org/10.1007/s00894-024-06143-4DOI Listing

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