Computational investigation of magnetic field effect on thermal function of diatomic molecules with anharmonic oscillator potential

被引:1
作者
Ghanbari, Ahmad [1 ]
机构
[1] Inst Theoret Solid State Phys, Hamburg, Germany
关键词
Thermodynamic properties; Anharmonic oscillator potential; Poisson summation; Diatomic molecules; THERMODYNAMIC PROPERTIES; ENERGY;
D O I
10.1016/j.comptc.2024.114991
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
In the present study, I have investigated the magnetic field contributions on thermal properties of diatomic molecules such as H2, HCl and CO with isotropic oscillator plus inverse quadratic potential. To this end, I have solved the Schro<spacing diaeresis>dinger equation with the potential model in the presence of magnetic fields and have obtained bound states of the system via the Laplace transform approach. Applying the determined energy eigenvalues, I have computed the partition function and thermal function such as specific heat in constant pressure, Gibbs free energy and enthalpy in the presence of external magnetic field using Poisson summation formula. I have compared our results with experimental data and there is a good agreement between them. I have computed the average absolute deviations of specific heat in constant pressure, Gibbs free energy and enthalpy for diatomic molecules in the presence and absence of magnetic fields. All calculated average deviations are under 3 % that show our accuracy of computations. My results show that external magnetic fields have a significant influence on thermodynamic properties of diatomic molecules.
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页数:8
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