{"title":"Moshinsky brackets for a wide range of quantum numbers using generating functions","authors":"Aziz H. Fatah, Adil M. Hussein, Hawar M. Dlshad","doi":"10.1016/j.cpc.2024.109409","DOIUrl":null,"url":null,"abstract":"<div><div>We used a new Python code to reproduce the brackets for the Moshinsky harmonic oscillator, which was based on the generating function. We made these brackets by transforming the wave functions of two groups of coupled particle harmonic oscillators, <span><math><msubsup><mrow><mi>Φ</mi></mrow><mrow><msub><mrow><mi>n</mi></mrow><mrow><mn>1</mn></mrow></msub><msub><mrow><mi>l</mi></mrow><mrow><mn>1</mn></mrow></msub><mo>,</mo><msub><mrow><mi>n</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>l</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>,</mo><mi>Λ</mi></mrow><mrow><msub><mrow><mi>m</mi></mrow><mrow><mn>1</mn></mrow></msub><mo>,</mo><msub><mrow><mi>m</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>,</mo><mi>λ</mi></mrow></msubsup><mrow><mo>(</mo><msub><mrow><mover><mrow><mi>r</mi></mrow><mrow><mo>→</mo></mrow></mover></mrow><mrow><mn>1</mn></mrow></msub><mo>,</mo><msub><mrow><mover><mrow><mi>r</mi></mrow><mrow><mo>→</mo></mrow></mover></mrow><mrow><mn>2</mn></mrow></msub><mo>)</mo></mrow></math></span> and <span><math><msubsup><mrow><mi>Φ</mi></mrow><mrow><msub><mrow><mi>n</mi></mrow><mrow><mi>a</mi></mrow></msub><msub><mrow><mi>l</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>,</mo><msub><mrow><mi>n</mi></mrow><mrow><mi>b</mi></mrow></msub><msub><mrow><mi>l</mi></mrow><mrow><mi>b</mi></mrow></msub><mo>,</mo><mi>Λ</mi></mrow><mrow><msub><mrow><mi>m</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>,</mo><msub><mrow><mi>m</mi></mrow><mrow><mi>b</mi></mrow></msub><mo>,</mo><mi>λ</mi></mrow></msubsup><mrow><mo>(</mo><msub><mrow><mover><mrow><mi>r</mi></mrow><mrow><mo>→</mo></mrow></mover></mrow><mrow><mi>a</mi></mrow></msub><mo>,</mo><msub><mrow><mover><mrow><mi>r</mi></mrow><mrow><mo>→</mo></mrow></mover></mrow><mrow><mi>b</mi></mrow></msub><mo>)</mo></mrow></math></span>. To convert between the supplied position and momentum coordinates in both frames, we performed orthogonal transformations on nuclei with both low and high angular momentum.</div><div>In our derivation, we have used the expansion of the generating functions <span><math><msup><mrow><mi>e</mi></mrow><mrow><mn>2</mn><mover><mrow><mi>p</mi></mrow><mrow><mo>→</mo></mrow></mover><mo>.</mo><mover><mrow><mi>r</mi></mrow><mrow><mo>→</mo></mrow></mover><mo>−</mo><msup><mrow><mi>p</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></msup></math></span> and <span><math><msup><mrow><mi>e</mi></mrow><mrow><mn>2</mn><mi>c</mi><msub><mrow><mi>p</mi></mrow><mrow><mi>i</mi></mrow></msub><mo>.</mo><msub><mrow><mi>p</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msup></math></span> in spherical coordinates in terms of harmonic oscillator wave functions. When we modified the Moshinsky brackets for two-coupled oscillator states, we used generating functions with two variables. The number of indices has significantly decreased compared to the oscillator brackets in previous references; this reduction in the program code's iterative process has yielded influential results. Compared to the previous version of the Moshinsky brackets code, the new Python code is easier to use. Our approach utilizes this code to assess Moshinsky brackets across a broad spectrum of quantum numbers. According to the revelation, adding more variables to the generating function makes the number of Moshinsky brackets that work for the higher body interactions increase.</div></div><div><h3>Program summary</h3><div><em>Program Title:</em> GFBRACKETS</div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/jvbnwp35rm.1</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> MIT</div><div><em>Programming language:</em> Python</div><div><em>Supplementary material:</em> Appendix</div><div><em>Nature of problem:</em> The generating functions were used to obtain a concise representation of the oscillator states for single particles. This was done to formulate and compute the generalized version of the Moshinsky brackets and matrix elements of two-body operators. By enlarging sets of basis oscillator states, it becomes possible to cover interactions involving more than two bodies. This can be easily achieved using the expanded generating function to compute the Moshinsky brackets for high-quantum numbers.</div><div><em>Solution method:</em> The Python code requires fewer iterations than similar codes generated by the method of the generating functions.</div><div><em>Additional comments including restrictions and unusual features:</em> When calculating Moshinsky brackets for large quantum numbers, restrictions arise. There is no data for quantum numbers greater than 10 in the formation of reaction potential. Additionally, a transformation matrix can be used to switch from single-particle to centre-of-mass coordinates on a two-particle harmonic oscillator basis. This transformation is applicable even when the masses of the two particles are unequal.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"307 ","pages":"Article 109409"},"PeriodicalIF":7.2000,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465524003321","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0
Abstract
We used a new Python code to reproduce the brackets for the Moshinsky harmonic oscillator, which was based on the generating function. We made these brackets by transforming the wave functions of two groups of coupled particle harmonic oscillators, and . To convert between the supplied position and momentum coordinates in both frames, we performed orthogonal transformations on nuclei with both low and high angular momentum.
In our derivation, we have used the expansion of the generating functions and in spherical coordinates in terms of harmonic oscillator wave functions. When we modified the Moshinsky brackets for two-coupled oscillator states, we used generating functions with two variables. The number of indices has significantly decreased compared to the oscillator brackets in previous references; this reduction in the program code's iterative process has yielded influential results. Compared to the previous version of the Moshinsky brackets code, the new Python code is easier to use. Our approach utilizes this code to assess Moshinsky brackets across a broad spectrum of quantum numbers. According to the revelation, adding more variables to the generating function makes the number of Moshinsky brackets that work for the higher body interactions increase.
Program summary
Program Title: GFBRACKETS
CPC Library link to program files:https://doi.org/10.17632/jvbnwp35rm.1
Licensing provisions: MIT
Programming language: Python
Supplementary material: Appendix
Nature of problem: The generating functions were used to obtain a concise representation of the oscillator states for single particles. This was done to formulate and compute the generalized version of the Moshinsky brackets and matrix elements of two-body operators. By enlarging sets of basis oscillator states, it becomes possible to cover interactions involving more than two bodies. This can be easily achieved using the expanded generating function to compute the Moshinsky brackets for high-quantum numbers.
Solution method: The Python code requires fewer iterations than similar codes generated by the method of the generating functions.
Additional comments including restrictions and unusual features: When calculating Moshinsky brackets for large quantum numbers, restrictions arise. There is no data for quantum numbers greater than 10 in the formation of reaction potential. Additionally, a transformation matrix can be used to switch from single-particle to centre-of-mass coordinates on a two-particle harmonic oscillator basis. This transformation is applicable even when the masses of the two particles are unequal.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.