A novel formula of equilibrium bond distance of the quantum oscillator with temperature dependence in diatomic molecules

被引:8
作者
Al-Raeei, Marwan [1 ]
El-Daher, Moustafa Sayem [1 ]
Bouzenada, Abdelmalek [2 ]
Boumali, Abdelmalek [2 ]
机构
[1] Damascus Univ, Damascus, Syria
[2] Univ Larbi Tebessi, Lab Phys Appl & Theor, Tebessa, Algeria
来源
PRAMANA-JOURNAL OF PHYSICS | 2023年 / 97卷 / 03期
关键词
Oscillator of Morse; non-harmonic oscillator of quantum mechanics; temperature; hydrogen chloride; hydrogen fluoride; bond distance; minimum energy; 02.30.Rz; 34.50.Ez; 03.65.-w; 82.60.-s; RADIAL-DISTRIBUTION FUNCTION; INTEGRAL-EQUATION; THERMODYNAMIC PROPERTIES; LIQUID; ELECTROLYTE; STATES; ATOM;
D O I
10.1007/s12043-023-02599-w
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Morse potential, a basic interaction potential used in the study of the non-harmonic oscillations between atoms and molecules, can be used for studying diatomic molecules. The full description of Morse interaction can be done using three parameters, and one important parameter of Morse potential is the bond distance of the equilibrium state of the potential. This parameter describes the equilibrium situation of the interaction itself. In this communication, we aim to derive a novel formula for the previous equilibrium distance. We derive the formula depending on the basic principle of the integral equation theory of the distribution functions. Depending on the derived formula, we find that the bond distance of the equilibrium state is a function of the temperature of the system via a nonlinear relationship. Also, we find that the bond distance of the equilibrium state is a function of the other two parameters of the Morse potential. Based on the derived formula, we found that the bond distance of the equilibrium state increases slowly with the absolute temperature of the system. Also, we calculate this bond distance for two diatomic molecules: the first one is the hydrogen chloride molecule, and the other is the hydrogen fluoride molecule. The bond distance of the equilibrium state, which are calculated in this work, are reliable and comparable to the experimental results of this distance.
引用
收藏
页数:7
相关论文
共 57 条
[1]   Effects of Energy Dissipation and Deformation Function on the Entanglement, Photon Statistics and Quantum Fisher Information of Three-Level Atom in Photon-Added Coherent States for Morse Potential [J].
Abdel-Khalek, Sayed ;
Khalil, Eied M. ;
Alotaibi, Hammad ;
Abo-Dahab, Sayed M. ;
Mahmoud, Emad E. ;
Higazy, Mahmoud ;
Marin, Marin .
SYMMETRY-BASEL, 2021, 13 (11)
[2]   Glass transition kinetics and radial distribution function to investigate the role of Cr2O3 on the structure of Li2O-Al2O3-SiO2 photonic glass [J].
Abdel-Wahab, F. A. ;
Abou Shama, Ali ;
Abdel-Baki, Manal ;
El-Diasty, Fouad .
JOURNAL OF ALLOYS AND COMPOUNDS, 2012, 513 :172-179
[3]   A self-consistent Ornstein-Zernike jellium for highly charged colloids (microgels) in suspensions with added salt [J].
Aguirre-Manzo, L. A. ;
Gonzalez-Mozuelos, P. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 33 (27)
[4]   Structure of some liquid transition metals using integral equation theory [J].
Akinlade, O ;
Umar, AM ;
Hussain, LA .
PRAMANA-JOURNAL OF PHYSICS, 1996, 47 (04) :271-281
[5]  
Al-Raeei M., 2022, Chem. Thermodyn. Therm. Anal, V6, P100046, DOI [10.1016/j.ctta.2022.100046, DOI 10.1016/J.CTTA.2022.100046]
[6]  
Al-Raeei M, 2021, The use of classical and quantum theoretical Physics methods in the study of complex systems and their applications in condensed matter Physics and quantum information theory
[7]   A formula of Tietz potential parameters and applying for scandium iodine, nitrogen iodine, rubidium hydride, nitrogen, and carbon monoxide molecules [J].
Al-Raeei, Marwan .
CANADIAN JOURNAL OF PHYSICS, 2023, 101 (04) :187-194
[8]   The bond length of the improved Rosen Morse potential, applying for: Cesium, hydrogen, hydrogen fluoride, hydrogen chloride, lithium, and nitrogen molecules [J].
Al-Raeei, Marwan .
RESULTS IN CHEMISTRY, 2022, 4
[9]   Morse potential specific bond volume: a simple formula with applications to dimers and soft-hard slab slider [J].
Al-Raeei, Marwan .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 34 (28)
[10]   Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms [J].
Al-Raeei, Marwan .
HELIYON, 2022, 8 (04)