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A Runge–Kutta type crowded in phase algorithm for quantum chemistry problems

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Abstract

We focus the study presented in this paper on the solution of systems of differential equations with applications in Quantum Chemistry using finite difference methods. The research of the newly introduced algorithm proves its efficiency.

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Authors and Affiliations

  1. School of Information Engineering, Chang’an University, Xi’an, 710064, People’s Republic of China

    Jieyin Lv

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

    T. E. Simos

  3. Data Recovery Key Laboratory of Sichuan Province, Neijiang Normal University, Dongtong Road 705, Neijiang, 641100, People’s Republic of China

    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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Lv, J., Simos, T.E. A Runge–Kutta type crowded in phase algorithm for quantum chemistry problems. J Math Chem 57, 1983–2006 (2019). https://doi.org/10.1007/s10910-019-01051-y

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