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一些双原子分子在修正和变形势下的振动能量。

Vibrational energies of some diatomic molecules for a modified and deformed potential.

作者信息

Onate C A, Okon I B, Onyeaju M C, Ebomwonyi O

机构信息

Physics Programme, Department of Physical Sciences, Landmark University, Omu-Aran, Nigeria.

Landmark University SDG 4 (Quality Education), Omu-Aran, Nigeria.

出版信息

Sci Rep. 2021 Nov 18;11(1):22498. doi: 10.1038/s41598-021-01998-6.

DOI:10.1038/s41598-021-01998-6
PMID:34795376
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8602305/
Abstract

A molecular potential model is proposed and the solutions of the radial Schrӧdinger equation in the presence of the proposed potential is obtained. The energy equation and its corresponding radial wave function are calculated using the powerful parametric Nikiforov-Uvarov method. The energies of cesium dimer for different quantum states were numerically obtained for both negative and positive values of the deformed and adjustable parameters. The results for sodium dimer and lithium dimer were calculated numerically using their respective spectroscopic parameters. The calculated values for the three molecules are in excellent agreement with the observed values. Finally, we calculated different expectation values and examined the effects of the deformed and adjustable parameters on the expectation values.

摘要

提出了一种分子势模型,并得到了在所提出的势存在下径向薛定谔方程的解。利用强大的参数化尼基福罗夫 - 乌瓦罗夫方法计算了能量方程及其相应的径向波函数。对于变形和可调参数的正负值,数值得到了不同量子态下铯二聚体的能量。使用钠二聚体和锂二聚体各自的光谱参数对它们进行了数值计算。这三种分子的计算值与观测值非常吻合。最后,我们计算了不同的期望值,并研究了变形和可调参数对期望值的影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc46/8602305/80171e886c8e/41598_2021_1998_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc46/8602305/80171e886c8e/41598_2021_1998_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc46/8602305/80171e886c8e/41598_2021_1998_Fig1_HTML.jpg

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本文引用的文献

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Thermodynamic Properties for Carbon Dioxide.二氧化碳的热力学性质
ACS Omega. 2019 Nov 5;4(21):19193-19198. doi: 10.1021/acsomega.9b02488. eCollection 2019 Nov 19.
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Rovibrational cooling of molecules by optical pumping.通过光抽运实现分子的振转冷却。
Phys Rev Lett. 2012 Nov 2;109(18):183001. doi: 10.1103/PhysRevLett.109.183001. Epub 2012 Oct 31.
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Equivalence of the Wei potential model and Tietz potential model for diatomic molecules.双原子分子的魏势模型和泰茨势模型的等价性。
J Chem Phys. 2012 Jul 7;137(1):014101. doi: 10.1063/1.4731340.
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Optical pumping and vibrational cooling of molecules.分子的光泵浦与振动冷却
Science. 2008 Jul 11;321(5886):232-4. doi: 10.1126/science.1159496.
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Observation of L uncoupling in the 5 1Deltag Rydberg state of Na2.钠分子(Na₂)5¹Δg 里德堡态中 L 解耦的观测
J Chem Phys. 2005 Dec 8;123(22):224303. doi: 10.1063/1.2137717.