Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential

Roy, Amlan K.

doi:10.1002/qua.24575

Cited by 36 publications

(33 citation statements)

References 51 publications

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“…Our currently found energy states are reasonably compared with the other findings. The vibrational energy is close to 7 digits with AIM [27] but found to agree with GPS [26] up to 4 digits. However, the rotational-vibrational energy states are close close to 5 digits with AIM.…”

Section: Numerical Results and Discussionmentioning

confidence: 70%

Spectroscopic study of some diatomic molecules via the proper quantization rule

Falaye

Ikhdair²,

Hamzavi

2015

J Math Chem

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Spectroscopic techniques are very essential tools in studying electronic structures, spectroscopic constants and energetic properties of diatomic molecules. These techniques are also required for parametrization of new method based on theoretical analysis and computational calculations. In this research, we apply the proper quantization rule in spectroscopic study of some diatomic molecules by solving the Schrödinger equation with two solvable quantum molecular systems-Tietz-Wei and shifted DengFan potential models for their approximate nonrelativistic energy states via an appropriate approximation to the centrifugal term. We show that the energy levels can be determined from its ground state energy. The beauty and simplicity of the method applied in this study is that, it can be applied to any exactly as well as approximately solvable models. The validity and accuracy of the method is tested with previous techniques via numerical computation for H 2 and CO diatomic molecules. The result also include energy spectrum of 5 different electronic states of NO and 2 different electronic state of ICl.

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Section: Numerical Results and Discussionmentioning

confidence: 70%

Spectroscopic study of some diatomic molecules via the proper quantization rule

Falaye

Ikhdair²,

Hamzavi

2015

J Math Chem

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“…Its importance in the field of molecular science is well‐known. DF potential qualitatively represents the Morse potential and shows the correct asymptotic behavior as internuclear distance tends toward zero and infinity . Hence, DF potential has many applications in molecular spectroscopy.…”

Section: Introductionmentioning

confidence: 80%

“…Hence, DF potential has many applications in molecular spectroscopy. In this work, a modified DF potential, with an infinite potential wall placed at r 0 has been assumed. The resulting Schrödinger equation has been solved using accurate five‐point finite difference method.…”

Section: Introductionmentioning

confidence: 99%

Rovibrational spectra of bounded diatomic molecules

Lumb

Prasad

2016

Int J of Quantum Chemistry

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Spectra of a bounded diatomic molecule is studied numerically. Shifted Deng-Fan oscillator potential has been used to model the molecule. The accurate five-point finite difference method has been used to solve the Schr€ odinger equation for rovibrational motion of the molecule. The energies of the bound states as well as free states of the molecule have been calculated. In addition, radial matrix elements like hw i jr n jw j i, n 5 1, 2, and 3 have been calculated. These have been used to calculate the 2 l -pole static polarizabilities. The variation of bound state energies, matrix elements and 2 l -pole static polarizabilities with the boundary radius has also been studied. The Stark effect in case of this bounded system has also been investigated. K E Y W O R D S bounded diatomic molecule, Deng-Fan oscillator potential, Stark effect, static polarizability Int.

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“…Just of recent, a modified form of Deng-Fan potential called the shifted Deng-Fan potential was suggested by Hamzavi et al (2013), it was reported that the shifted Deng Mustafa (2015) to investigate a new deformed Schioberg-type potential, and obtained ro-vibrational energies for some diatomic molecule [13]. He showed how this potential is related to the Deng-Fan potential [14].…”

Section: Introductionmentioning

confidence: 99%

Reflection and Transmission Coefficients of the Symmetric Barrier-Type Shifted Deng–Fan Potential

Oluwadare¹,

Oyewumi²,

Thylwe³

et al. 2017

Commun. Theor. Phys.

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By applying continuity and boundary conditions, the reflection and transmission coefficients of one-dimensional time-independent Schrödinger equation with a symmetric IntroductionThe scattering phenomena, such as scattering phase shifts, reflection and transmission coefficients are used to explain the behaviour of waves incident on a barrier [1-2]. The transmission coefficient represents the probability flux of the transmitted wave relative to that of the incident wave. It is often used to describe the probability of a particle tunneling through a barrier. This is more feasible in the case where electrons tunnel between two conducting materials. The shifted Deng-Fan potential is a suitable model for the theoretical predictions because it has been used extensively in both relativistic and non -relativistic quantum mechanics. The original Deng-Fan molecular potential has the correct asymptotic behaviour at the origin [3][4][5][6][7][8][9], and so, it has been used to predict the interactions between atoms and molecules and vibrational spectrum [3][4][5][6][7][8][9].

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Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential

Cited by 36 publications

References 51 publications

Spectroscopic study of some diatomic molecules via the proper quantization rule

Spectroscopic study of some diatomic molecules via the proper quantization rule

Rovibrational spectra of bounded diatomic molecules

Reflection and Transmission Coefficients of the Symmetric Barrier-Type Shifted Deng–Fan Potential

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