More accurate ro-vibrational energies for SiF ⁺(X ¹Σ⁺) molecule

Abstract

The most appropriate potential energy function for the X 1Σ+ state of SiF+ molecule has been specified by comparing the vibrational energies obtained via special cases of the general molecular potential (GMP) which are Morse, improved Rosen-Morse, modified Rosen-Morse, improved Manning-Rosen and Tietz potentials with the vibrational energies obtained in the presence of improved generalized Pöschl-Teller (IGPT) potential and experimental data. It has been shown that the improved Rosen-Morse potential is better than the other well-known potential energy functions in fitting experimental energies of SiF +(X 1Σ+) molecule. By using relativistic rotational-vibrational energy eigenvalue relation for Rosen-Morse potential in improved form which is acquired by solving the Dirac equation under the GMP and Pekeris type approximation, the more accurate ro-vibrational energies of SiF +(X 1Σ+) molecule have been obtained. It has been demonstrated for SiF +(X 1Σ+) molecule that in order to procure more proper ro-vibrating energies for the SiF +(X 1Σ+) molecule, a Pekeris-type approach to the centrifugal term is better than the improved Greene-Aldrich in getting more accurate ro-vibrational energies.

A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential

“…It is clear that the current findings for the SiF ( ) molecule are in good accord with those of Ref. 31 . As illustrated in Tables 3 , 4 , 5 , 6 , 7 , 8 , the influence of incorporating fractional parameters on the vibrational energies for the molecules studied in this work is crucial for modelling the experimental RKR data.…”

“… 31 and observed values. Yanar 31 calculated the vibrational energies for the SiF ( ) molecule using the IRMP as well as the improved generalized Pöschl-Teller (IGPT) potential . It is clear that the current findings for the SiF ( ) molecule are in good accord with those of Ref.…”

“…In Table 8 , we also provide a comparison of the computed vibrational energies for the SiF ( ) molecule with the outcomes of Ref. 31 and observed values. Yanar 31 calculated the vibrational energies for the SiF ( ) molecule using the IRMP as well as the improved generalized Pöschl-Teller (IGPT) potential .…”

“…The vibrational energies for nitrogen molecule and sodium dimer were found 29 by studying the solutions of the SE with the IRMP. Al-Raeei 30 derived an expression of the bond equilibrium length of the IRMP and used it to analyze six dimers and molecules.Yanar 31 computed the vibrational energies of the SiF ( ) molecule utilizing particular cases of the general molecular potential, such as the Morse potential, IRMP, and others.…”

RbH Molekülünün X^1 Σ^+ Durumu için Dönme-Titreşim Enerji Seviyeleri

“…Literatürde iki atomlu moleküllerin dönmetitreşim enerjilerini elde edebilmek için merkezcil terime yaygın olarak Greene-Aldrich (Greene ve Aldrich, 1976) ve Pekeris (Pekeris, 1934) yaklaşımları uygulanmıştır. Ancak son yıllarda yapılan çalışmalar, moleküllerin bağlı durumlarının DOI:10.29132/ijpas.1274351 100 açıklanmasında Pekeris-tipi yaklaşımların Greene-Aldrich yaklaşımından daha uygun olduğunu göstermiştir (Mustafa, 2015a;Mustafa, 2015b;Yanar, Taş, Salti ve Aydogdu, 2020;Yanar, 2022a).…”