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A three-stages multistep teeming in phase algorithm for computational problems in chemistry

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Abstract

In this paper and for the first time in this scientific discipline, we introduce a new multi-stage two-step teeming in phase algorithm with meliorated characteristics. A theoretical, computational and numerical consideration is also presented. The sufficiency of the new computational algorithm is tried on using systems of coupled differential equations which represent computational problem in quantum chemistry.

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Authors and Affiliations

  1. Ural Federal University, Mira 19, Yekaterinburg, Russia

    Maxim A. Medvedev

  2. Institute of Industrial Ecology UB RAS, Kovalevskaya st. 20, Yekaterinburg, Russia

    Maxim A. Medvedev

  3. Department of Mathematics, College of Sciences, King Saud University, P. O. Box 2455, Riyadh, 11451, Saudi Arabia

    T. E. Simos

  4. Section of Mathematics, Department of Civil Engineering, Democritus University of Thrace, Xanthi, Greece

    T. E. Simos

  5. 10 Konitsis Street, Amphithea - Paleon Phaleron, 175 64, Athens, Greece

    T. E. Simos

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Medvedev, M.A., Simos, T.E. A three-stages multistep teeming in phase algorithm for computational problems in chemistry. J Math Chem 57, 1598–1617 (2019). https://doi.org/10.1007/s10910-019-01024-1

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