{"title":"全局单极和阿哈诺夫-玻姆通量场中组合势垒下的双原子分子近似解","authors":"Sujay Kumar Nayek, Barnali Dutta, Bhumika Pradhan","doi":"10.1002/qua.27460","DOIUrl":null,"url":null,"abstract":"<p>Bound state energy eigensolutions of nine different diatomic molecules, specifically, <span></span><math>\n <semantics>\n <mrow>\n <msub>\n <mrow>\n <mtext>H</mtext>\n </mrow>\n <mrow>\n <mn>2</mn>\n </mrow>\n </msub>\n </mrow>\n <annotation>$$ {\\mathrm{H}}_2 $$</annotation>\n </semantics></math>, TiH, <span></span><math>\n <semantics>\n <mrow>\n <msub>\n <mrow>\n <mtext>N</mtext>\n </mrow>\n <mrow>\n <mn>2</mn>\n </mrow>\n </msub>\n </mrow>\n <annotation>$$ {\\mathrm{N}}_2 $$</annotation>\n </semantics></math>, CO, NO, ScH, CrH, HCl and LiH, placed in a point-like global monopole, have been calculated by solving the time-independent Schrödinger equation (SE). The molecules are confined by the Aharonov–Bohm (AB) flux field and the interaction potential among the charged particles is governed by the combined screened modified Kratzer potential (SMKP) plus Hulthén potential model. Three other special cases of the interaction potential have also been discussed here. Asymptotic iteration method has been used for the mathematical calculations. It is difficult to solve the SE exactly for any non-zero values of the azimuthal quantum number <span></span><math>\n <semantics>\n <mrow>\n <mi>l</mi>\n </mrow>\n <annotation>$$ l $$</annotation>\n </semantics></math> due to the presence of the centrifugal barrier term. The well-known Pekeris approximation technique for the terms <span></span><math>\n <semantics>\n <mrow>\n <mfrac>\n <mrow>\n <mn>1</mn>\n </mrow>\n <mrow>\n <msup>\n <mrow>\n <mi>r</mi>\n </mrow>\n <mrow>\n <mn>2</mn>\n </mrow>\n </msup>\n </mrow>\n </mfrac>\n </mrow>\n <annotation>$$ \\frac{1}{r^2} $$</annotation>\n </semantics></math> and <span></span><math>\n <semantics>\n <mrow>\n <mfrac>\n <mrow>\n <mn>1</mn>\n </mrow>\n <mrow>\n <mi>r</mi>\n </mrow>\n </mfrac>\n </mrow>\n <annotation>$$ \\frac{1}{r} $$</annotation>\n </semantics></math> has taken into consideration for the purpose of performing numerical computations connected to an arbitrary <span></span><math>\n <semantics>\n <mrow>\n <mi>l</mi>\n </mrow>\n <annotation>$$ l $$</annotation>\n </semantics></math> state. The outcomes of this study are in reasonable agreement with the results of previous research on SMKP, Kratzer-Fues potential, and modified Kratzer potential in the Minkowski space. It is observed that the energy spectra of the diatomic molecules suffer considerable change due to the effects of the background AB-flux field and topological defect parameter.</p>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Approximate solutions for diatomic molecules under combined potentials in a global monopole and Aharonov–Bohm flux field\",\"authors\":\"Sujay Kumar Nayek, Barnali Dutta, Bhumika Pradhan\",\"doi\":\"10.1002/qua.27460\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Bound state energy eigensolutions of nine different diatomic molecules, specifically, <span></span><math>\\n <semantics>\\n <mrow>\\n <msub>\\n <mrow>\\n <mtext>H</mtext>\\n </mrow>\\n <mrow>\\n <mn>2</mn>\\n </mrow>\\n </msub>\\n </mrow>\\n <annotation>$$ {\\\\mathrm{H}}_2 $$</annotation>\\n </semantics></math>, TiH, <span></span><math>\\n <semantics>\\n <mrow>\\n <msub>\\n <mrow>\\n <mtext>N</mtext>\\n </mrow>\\n <mrow>\\n <mn>2</mn>\\n </mrow>\\n </msub>\\n </mrow>\\n <annotation>$$ {\\\\mathrm{N}}_2 $$</annotation>\\n </semantics></math>, CO, NO, ScH, CrH, HCl and LiH, placed in a point-like global monopole, have been calculated by solving the time-independent Schrödinger equation (SE). The molecules are confined by the Aharonov–Bohm (AB) flux field and the interaction potential among the charged particles is governed by the combined screened modified Kratzer potential (SMKP) plus Hulthén potential model. Three other special cases of the interaction potential have also been discussed here. Asymptotic iteration method has been used for the mathematical calculations. It is difficult to solve the SE exactly for any non-zero values of the azimuthal quantum number <span></span><math>\\n <semantics>\\n <mrow>\\n <mi>l</mi>\\n </mrow>\\n <annotation>$$ l $$</annotation>\\n </semantics></math> due to the presence of the centrifugal barrier term. The well-known Pekeris approximation technique for the terms <span></span><math>\\n <semantics>\\n <mrow>\\n <mfrac>\\n <mrow>\\n <mn>1</mn>\\n </mrow>\\n <mrow>\\n <msup>\\n <mrow>\\n <mi>r</mi>\\n </mrow>\\n <mrow>\\n <mn>2</mn>\\n </mrow>\\n </msup>\\n </mrow>\\n </mfrac>\\n </mrow>\\n <annotation>$$ \\\\frac{1}{r^2} $$</annotation>\\n </semantics></math> and <span></span><math>\\n <semantics>\\n <mrow>\\n <mfrac>\\n <mrow>\\n <mn>1</mn>\\n </mrow>\\n <mrow>\\n <mi>r</mi>\\n </mrow>\\n </mfrac>\\n </mrow>\\n <annotation>$$ \\\\frac{1}{r} $$</annotation>\\n </semantics></math> has taken into consideration for the purpose of performing numerical computations connected to an arbitrary <span></span><math>\\n <semantics>\\n <mrow>\\n <mi>l</mi>\\n </mrow>\\n <annotation>$$ l $$</annotation>\\n </semantics></math> state. The outcomes of this study are in reasonable agreement with the results of previous research on SMKP, Kratzer-Fues potential, and modified Kratzer potential in the Minkowski space. It is observed that the energy spectra of the diatomic molecules suffer considerable change due to the effects of the background AB-flux field and topological defect parameter.</p>\",\"PeriodicalId\":182,\"journal\":{\"name\":\"International Journal of Quantum Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-07-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Quantum Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/qua.27460\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Quantum Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/qua.27460","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Approximate solutions for diatomic molecules under combined potentials in a global monopole and Aharonov–Bohm flux field
Bound state energy eigensolutions of nine different diatomic molecules, specifically, , TiH, , CO, NO, ScH, CrH, HCl and LiH, placed in a point-like global monopole, have been calculated by solving the time-independent Schrödinger equation (SE). The molecules are confined by the Aharonov–Bohm (AB) flux field and the interaction potential among the charged particles is governed by the combined screened modified Kratzer potential (SMKP) plus Hulthén potential model. Three other special cases of the interaction potential have also been discussed here. Asymptotic iteration method has been used for the mathematical calculations. It is difficult to solve the SE exactly for any non-zero values of the azimuthal quantum number due to the presence of the centrifugal barrier term. The well-known Pekeris approximation technique for the terms and has taken into consideration for the purpose of performing numerical computations connected to an arbitrary state. The outcomes of this study are in reasonable agreement with the results of previous research on SMKP, Kratzer-Fues potential, and modified Kratzer potential in the Minkowski space. It is observed that the energy spectra of the diatomic molecules suffer considerable change due to the effects of the background AB-flux field and topological defect parameter.
期刊介绍:
Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.