Molecular study of an improved Wei energy potential for the halogens and gallium halides

被引：0

作者：

Onate, C. A. ^{[1
]}

Okon, I. B. ^{[2
]}

Vincent, U. E. ^{[3
]}

Omugbe, E. ^{[4
]}

Eyube, E. S. ^{[5
]}

Araujo, J. P. ^{[6
]}

机构：

[1] Bown Univ Iwo, Phys Dept, Iwo, Osun State, Nigeria

[2] Univ Uyo, Dept Phys, Uyo, Nigeria

[3] Redeemers Univ, Dept Phys Sci, Ede, Osun State, Nigeria

[4] Univ Agr & Environm Sci, Dept Phys, Umuagwo, Imo State, Nigeria

[5] Modibbo Adama Univ, Fac Phys Sci, Dept Phys, Yola, Nigeria

[6] Inst Fed Educ Ciencia Tecnol Sudeste Minas Gerais, Juiz De Fora, Brazil

来源：

CHEMICAL PHYSICS | 2024年 / 587卷

关键词：

Spectroscopy; Eigensolution; Schrodinger equation; Wave equation; Bound state; CURVES;

D O I：

10.1016/j.chemphys.2024.112440

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An improved Wei potential energy function as a molecular potential model has not been widely reported probably due to its physical structure. In this study, the Feinberg-Horodecki (FH) equation is examined for the improved Wei energy potential function. To validate the calculations, the Feinberg-Horodecki equation is transformed into an energy equation by putting c = 1, and Pn= En. Numerical results are generated for some molecules using the energy equation and the molecular spectroscopic constants for 7 = -0.1, 0, and 0.1. The predicted results for the energy eigenvalues are compared with the experimental data for four halogen molecules and four gallium halides. The results revealed that the negative values of 7 do not produce values that align with the experimental data. It is also shown that the result obtained with 7 = 0 reproduces a better result for the improved Wei potential energy function than the result obtained with 7 = 0.1.

引用

页数：7

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