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Time-correlation function and average energy of molecules in presence of Deng-Fan potential in a moving boundary

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Abstract

For the Deng-Fan potential within a moving boundary condition, the time-dependent Schrödinger equation is considered analytically. The eigenvalue equation is solved by using a combination of Pekeris and Greene-Aldrich approximations. Various time-dependent quantities including density distribution function, auto-correlation function, disequilibrium, average energy, quantum similarity, and quantum similarity index are obtained for selected eight diatomic molecules. The motion of the peak of the density function, with moving boundary condition is investigated for ground states of some diatomic molecules along with the corresponding peak values.

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Acknowledgements

AKR thanks MATRICS (MTR/2019/00012) for financial support. DN gratefully acknowledges financial support from TARE, DST-SERB, New Delhi (TAR/2021/000142). Partial financial assistance from DST (CRG/2019/000293) is appreciated.

Funding

This study was funded by Science and Engineering Research Board (MTR/2019/00012, CRG/2019/000293, TAR/2021/000142).

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Authors and Affiliations

  1. Department of Mathematics, Vivekananda College, Kolkata, WB, 700063, India

    Debraj Nath

  2. Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, Nadia, WB, 741246, India

    Amlan K. Roy

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  1. Debraj Nath
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Nath, D., Roy, A.K. Time-correlation function and average energy of molecules in presence of Deng-Fan potential in a moving boundary. Nonlinear Dyn 110, 1597–1612 (2022). https://doi.org/10.1007/s11071-022-07664-4

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