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具有分子吸引势的铯二聚体和锂二聚体的转动-振动能量

Ro-vibrational energies of cesium dimer and lithium dimer with molecular attractive potential.

作者信息

Onate C A, Akanbi T A, Okon I B

机构信息

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

Theoretical Physics Group, Department of Physics, University of Uyo, Uyo, Nigeria.

出版信息

Sci Rep. 2021 Mar 18;11(1):6198. doi: 10.1038/s41598-021-85761-x.

Abstract

An approximate solution of the Schrӧdinger equation for a molecular attractive potential was obtained using the parametric Nikiforov-Uvarov method. The energy equation and the corresponding radial wave functions were calculated. The effects of the potential parameters on the energy eigenvalues were examined. The thermal properties under the molecular attractive potential were calculated and the behaviour of the thermal properties with the maximum quantum state (λ) and the temperature parameter (β) respectively, were studied. Using the molecular spectroscopic parameters, the Rydberg-Klein-Rees (RKR) of cesium dimer and lithium dimer were both obtained and compared with the experimental values. The RKR values of both cesium dimer and lithium dimer calculated aligned with the observed values. The deviation and average deviation of the RKR for each molecule were also calculated.

摘要

使用参数化的尼基福罗夫 - 乌瓦罗夫方法获得了分子吸引势薛定谔方程的近似解。计算了能量方程和相应的径向波函数。研究了势参数对能量本征值的影响。计算了分子吸引势下的热性质,并分别研究了热性质随最大量子态(λ)和温度参数(β)的变化行为。利用分子光谱参数,得到了铯二聚体和锂二聚体的里德堡 - 克莱因 - 里斯(RKR)值,并与实验值进行了比较。计算得到的铯二聚体和锂二聚体的RKR值与观测值相符。还计算了每个分子RKR的偏差和平均偏差。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91e6/7973739/705763d48517/41598_2021_85761_Fig1_HTML.jpg

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