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Non-relativistic molecular modified shifted Morse potential system

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Non-relativistic molecular modified shifted Morse potential system. / Onate, C.A.; Okon, I.B.; Vincent, U.E. et al.
In: Scientific Reports, Vol. 12, No. 1, 15188, 07.09.2022.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Onate, CA, Okon, IB, Vincent, UE, Eyube, ES, Onyeaju, MC, Omugbe, E & Egharevba, GO 2022, 'Non-relativistic molecular modified shifted Morse potential system', Scientific Reports, vol. 12, no. 1, 15188. https://doi.org/10.1038/s41598-022-19179-4

APA

Onate, C. A., Okon, I. B., Vincent, U. E., Eyube, E. S., Onyeaju, M. C., Omugbe, E., & Egharevba, G. O. (2022). Non-relativistic molecular modified shifted Morse potential system. Scientific Reports, 12(1), Article 15188. https://doi.org/10.1038/s41598-022-19179-4

Vancouver

Onate CA, Okon IB, Vincent UE, Eyube ES, Onyeaju MC, Omugbe E et al. Non-relativistic molecular modified shifted Morse potential system. Scientific Reports. 2022 Sept 7;12(1):15188. doi: 10.1038/s41598-022-19179-4

Author

Onate, C.A. ; Okon, I.B. ; Vincent, U.E. et al. / Non-relativistic molecular modified shifted Morse potential system. In: Scientific Reports. 2022 ; Vol. 12, No. 1.

Bibtex

@article{ffee9e9b905b410c91ad543e26eee286,
title = "Non-relativistic molecular modified shifted Morse potential system",
abstract = "A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs2 molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.",
author = "C.A. Onate and I.B. Okon and U.E. Vincent and E.S. Eyube and M.C. Onyeaju and E. Omugbe and G.O. Egharevba",
year = "2022",
month = sep,
day = "7",
doi = "10.1038/s41598-022-19179-4",
language = "English",
volume = "12",
journal = "Scientific Reports",
issn = "2045-2322",
publisher = "Nature Publishing Group",
number = "1",

}

RIS

TY - JOUR

T1 - Non-relativistic molecular modified shifted Morse potential system

AU - Onate, C.A.

AU - Okon, I.B.

AU - Vincent, U.E.

AU - Eyube, E.S.

AU - Onyeaju, M.C.

AU - Omugbe, E.

AU - Egharevba, G.O.

PY - 2022/9/7

Y1 - 2022/9/7

N2 - A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs2 molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.

AB - A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs2 molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.

U2 - 10.1038/s41598-022-19179-4

DO - 10.1038/s41598-022-19179-4

M3 - Journal article

VL - 12

JO - Scientific Reports

JF - Scientific Reports

SN - 2045-2322

IS - 1

M1 - 15188

ER -