Ro-vibrational energies of CO molecule via improved generalized Pöschl–Teller potential and Pekeris-type approximation

Yanar, Hilmi; Taş, Ahmet; Saltı, Mustafa; Aydoğdu, Oktay

doi:10.1140/epjp/s13360-020-00297-9

Cited by 52 publications

(44 citation statements)

References 60 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Eq. (107) applied to the data of Table 3 give: 0.2862%, 0.2896% and 0.0662% for improved Wei potential, improved Tietz potential and Morse potential respectively, the calculated mean absolute percentage deviations are each less than 1% as required by Lippincott criterion (Tang et al, 2014), these results show that the Morse potential can best fit the RKR CO data followed by improved Wei potential, then the improved Tietz potential, this is further evident from the result of our calculated value of h′ (≈ 0.04) which is relatively small, thus reducing the improved Wei potential to Morse potential. To further affirm the validity of our results, we have used Eqs.…”

Section: Resultsmentioning

confidence: 96%

“…CO molecule has a relatively smaller h′ (0.04) and b ≈ bM, therefore, the molecular properties of CO can approximately be described by Morse potential (see Figure 1), there is no need for a larger parameter potential such as the improved Wei or improved Tietz potential, LiH almost has the same trend as CO. However, for H2, the trend is different (see Figure 2) In their work, Tang et al (2014) have demonstrated how the improved Tietz potential fits the experimental Rydberg-Klein-Rees (RKR) data for two species of the Na2 diatomic molecules. Since the improved Wei potential is known to be an equivalent of the of the improved Tietz potential (Jia et al, 2012), it is quite logical to infer that the improved Wei potential can equally fits the RKR data, therefore, using Eqs.…”

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 98%

“…The data for αe for all the three molecules were adopted from NIST data base. Data for μ, De, re and ωe for CO were obtained from Yanar et al (2020) and that of LiH and H2 were extracted from Ikhdair (2009) 80, we have computed the values of the parameters h′, b and bM respectively for each of the diatomic molecule as indicated in Table 2. Also shown in Table 1 are the literature values of bM corresponding to h′ = 0.…”

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 99%

“…Since the improved Wei potential is known to be an equivalent of the of the improved Tietz potential (Jia et al, 2012), it is quite logical to infer that the improved Wei potential can equally fits the RKR data, therefore, using Eqs. 78 (Yanar et al, 2020;Tang et al, 2014):…”

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 99%

“…Extensive literature review reveals that wave functions are of tremendous importance in both relativistic and nonrelativistic quantum mechanics because they completely define the quantum mechanical system under review (Yanar et al, 2020;Hamzavi et al, 2012), information such as energy of the system, momentum, frequency of vibration, speed and wavelength are readily obtainable if the wave function of the system is known (Eyube et al, 2019a). Obtaining the wave function of a quantum mechanical system requires solving the Schrödinger equation for a given potential energy function (Eyube et al, 2019b).…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Rotational-Vibrational Eigen Solutions of the D-Dimensional Schrödinger Equation for the Improved Wei Potential

Eyube

Dlama²,

Wadata³

2020

FJS

View full text Add to dashboard Cite

In this present study, we have employed the techniques of exact quantization rule and ansatz solution method to obtain closed form expressions for the rotational-vibrational eigensolutions of the D-dimensional Schrödinger equation for the improved Wei potential, for cases of h′ ≠ 0 and h′ = 0. By using our derived energy equation and choosing arbitrary values of n and ℓ, we have computed the bound state rotational-vibrational energies of CO, H2 and LiH for various quantum states. The mean absolute percentage deviation (MAPD) and the Lippincott criterion ware used as a goodness-of-fit indices to compare our result with the Rydberg-Klein-Rees (RKR) and improved Tietz potential data in the literature. MAPD of 0.2862%, 0.2896% and 0.0662% relative to the RKR data for CO ware obtained. For the improved Wei and Morse potential, our computed energy eigenvalues for CO, H2 and LiH are in excellent agreement with existing results in the literature

show abstract

Section: Resultsmentioning

confidence: 96%

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 98%

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 99%

Section: Rotational-vibrational Energy Of the Improved Wei Potentialmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Rotational-Vibrational Eigen Solutions of the D-Dimensional Schrödinger Equation for the Improved Wei Potential

Eyube

Dlama²,

Wadata³

2020

FJS

View full text Add to dashboard Cite

show abstract

Rotation vibration spectrum of potassium molecules via the improved generalized Pöschl‐Teller oscillator

Horchani

Jelassi

Ikot

et al. 2020

Int J of Quantum Chemistry

View full text Add to dashboard Cite

In this work, we used the improved generalized Pöschl‐Teller potential (IGPT) to calculate the rotational‐vibrational (ro‐vibrational, hereinafter) energies of potassium molecules in the excited electronic state a3∑u+. In doing this, we first solved the Schrödinger equation for the (IGPT) by applying both the Pekeris‐type and the Greene‐Aldrich approximations to the centrifugal term. The obtained energy spectra are compared with that of the experimental Rydberg‐Klein‐Rees (RKR) data. We also showed that the IGPT potential is a good potential function in fitting experimental RKR data for the 39K2 (a3∑u+) molecule. Finally, we have proved that Pekeris‐type approximation is better than Greene‐Aldrich approximation in calculating the accurate ro‐vibrational energies spectra for the a3∑u+ potassium molecular dimers.

show abstract

On the one‐dimensional Morse potential as limit of a class of multiparameter exponential‐type radial potential

Peña

Morales

García-Ravelo

et al. 2020

Int J of Quantum Chemistry

View full text Add to dashboard Cite

Despite their differences, the exponential‐type radial potential and the Morse potential can be compared not only analytically but also through spectroscopic calculations. In this work, the eigensolutions of the Schrödinger equation coming from the hypergeometric differential equation are used to show the relationship that exist between the Morse potential and a class of multiparametric exponential‐type radial (MER) potential. To do that, we rewrite the MER potential and its corresponding energy spectrum such that their main parameters as its depth V0, the equilibrium point re and its width parameter β explicitly appear in the potential. After, through the infinity limit applied to the re parameter we show that the MER potential tends to the Morse potential. Likewise, under the same limit, the energy spectrum and the number of bound states tend to those of the Morse potential which indicates the equivalence of using the Morse potential or MER potentials in the calculation of spectroscopic transitions for diatomic molecules. As a useful application, we select particular values of the involved parameters in the MER potential in such a way that leads to the Poschl–Teller II potential. Thus, after apply the aforementioned limit to this potential, it is shown that energy spectrum and number of states correspond to those of Morse potential. Although the usefulness of the proposal is exemplified in the case of the molecule HCl35 and the radial Posch–Teller potential, the method can be straightforwardly used with other specific exponential‐type radial potentials as well as with other diatomic molecules.

show abstract

Ro-vibrational energies of CO molecule via improved generalized Pöschl–Teller potential and Pekeris-type approximation

Cited by 52 publications

References 60 publications

Rotational-Vibrational Eigen Solutions of the D-Dimensional Schrödinger Equation for the Improved Wei Potential

Rotational-Vibrational Eigen Solutions of the D-Dimensional Schrödinger Equation for the Improved Wei Potential

Rotation vibration spectrum of potassium molecules via the improved generalized Pöschl‐Teller oscillator

On the one‐dimensional Morse potential as limit of a class of multiparameter exponential‐type radial potential

Contact Info

Product

Resources

About