mploying Virial Coefficients for Optimal Solutions in Variational Calculations

Mahmut Özgür Sezer

doi:10.17776/csj.1510611

EN

mploying Virial Coefficients for Optimal Solutions in Variational Calculations

Abstract

In this study, virial coefficients for one and two-electron hydrogen and helium-like quantum dot structures confined in an infinite potential well were calculated. The virial coefficients were determined based on the dot radius using the Quantum Genetic Algorithm (QGA) method. Calculations were performed using Fernandez's expression; however, due to calculation errors in confined systems, this equivalent expression was found unsuitable as a direct stopping criterion. Instead, virial coefficients were calculated using the ⟨T⟩/⟨V⟩ relationship, and the results were plotted. The fitting function obtained for the virial coefficients is proposed as an effective cutoff criterion for electronic structure calculations of quantum dot systems.

Keywords

References

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Details

Primary Language

English

Subjects

Atomic and Molecular Physics

Journal Section

Research Article

Authors

Mahmut Özgür Sezer ^*
0000-0002-8415-8440
Türkiye

Publication Date

September 30, 2024

Submission Date

July 4, 2024

Acceptance Date

September 3, 2024

Published in Issue

Year 2024 Volume: 45 Number: 3

DOI

https://doi.org/10.17776/csj.1510611

IZ

https://izlik.org/JA68TA96UP

Cite

RIS / Bibtex

APA

Sezer, M. Ö. (2024). mploying Virial Coefficients for Optimal Solutions in Variational Calculations. Cumhuriyet Science Journal, 45(3), 604-608. https://doi.org/10.17776/csj.1510611