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A new multistep method with optimized characteristics for initial and/or boundary value problems

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Abstract

In this paper we introduce, for the first time in the literature, an optimized multistage symmetric two-step method. This method is considered as optimized due to the following reasons: (1) it is of tenth-algebraic order scheme, (2) it has obliterated the phase-lag and its first, second, third and fourth derivatives, (3) it has improved stability characteristics, (4) it is a P-stable method. For the new proposed multistage symmetric two-step method we present a full theoretical investigation consisted of: (1) local truncation error and comparative error analysis, (2) stability analysis and (3) interval of periodicity analysis. The effectiveness of the new builded multistage symmetric two-step method is evaluated on the solution of systems of coupled differential equations of the Schrödinger type.

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References

  1. A.C. Allison, The numerical solution of coupled differential equations arising from the Schrödinger equation. J. Comput. Phys. 6, 378–391 (1970)

    Article  Google Scholar 

  2. C.J. Cramer, Essentials of Computational Chemistry (Wiley, Chichester, 2004)

    Google Scholar 

  3. F. Jensen, Introduction to Computational Chemistry (Wiley, Chichester, 2007)

    Google Scholar 

  4. A.R. Leach, Molecular Modelling: Principles and Applications (Pearson, Essex, 2001)

    Google Scholar 

  5. P. Atkins, R. Friedman, Molecular Quantum Mechanics (Oxford University Press, Oxford, 2011)

    Google Scholar 

  6. V.N. Kovalnogov, T.E. Simos, V.N. Kovalnogov, I.V. Shevchuk, Perspective of mathematical modeling and research of targeted formation of disperse phase clusters in working media for the next-generation power engineering technologies, in AIP Conference Proceedings, 1863, 560099 (2017)

  7. V.N. Kovalnogov, R.V. Fedorov, D.A. Generalov, Y.A. Khakhalev, A.N. Zolotov, Numerical research of turbulent boundary layer based on the fractal dimension of pressure fluctuations. in AIP Conference Proceedings, 738, 480004 (2016)

  8. V.N. Kovalnogov, R.V. Fedorov, T.V. Karpukhina, E.V. Tsvetova, Numerical analysis of the temperature stratification of the disperse flow, in AIP Conference Proceedings, 1648, 850033 (2015)

  9. N. Kovalnogov, E. Nadyseva, O. Shakhov and V. Kovalnogov, Control of turbulent transfer in the boundary layer through applied periodic effects, Izvestiya Vysshikh Uchebnykh Zavedenii Aviatsionaya Tekhnika (1), 49–53 (1998)

  10. V.N. Kovalnogov, R.V. Fedorov, D.A. Generalov, Modeling and development of cooling technology of turbine engine blades. Int. Rev. Mech. Eng. 9(4), 331–335 (2015)

    Google Scholar 

  11. S. Kottwitz, LaTeX Cookbook, pp. 231–236, Packt Publishing Ltd., Birmingham B3 2PB, UK (2015)

  12. T.E. Simos, P.S. Williams, A finite difference method for the numerical solution of the Schrödinger equation. J. Comput. Appl. Math. 79, 189–205 (1997)

    Article  Google Scholar 

  13. Z. Chen, C. Liu, T.E. Simos, New three-stages symmetric two step method with improved properties for second order initial/boundary value problems. J. Math. Chem. in press

  14. V.N. Kovalnogov, R.V. Fedorov, T.E. Simos, New hybrid symmetric two step scheme with optimized characteristics for second order problems. J. Math. Chem. To appear

  15. R. Hao, T.E. Simos, New Runge–Kutta type symmetric two step finite difference pair with improved properties for second order initial and/or boundary value problems. J. Math. Chem. in press

  16. Z.A. Anastassi, T.E. Simos, A parametric symmetric linear four-step method for the efficient integration of the Schrödinger equation and related oscillatory problems. J. Comput. Appl. Math. 236, 3880–3889 (2012)

    Article  Google Scholar 

  17. A.D. Raptis, T.E. Simos, A four-step phase-fitted method for the numerical integration of second order initial-value problem. BIT 31, 160–168 (1991)

    Article  Google Scholar 

  18. J.M. Franco, M. Palacios, J. Comput. Appl. Math. 30, 1 (1990)

    Article  Google Scholar 

  19. J.D. Lambert, Numerical Methods for Ordinary Differential Systems: The Initial Value Problem (Wiley, New York, 1991), pp. 104–107

    Google Scholar 

  20. E. Stiefel, D.G. Bettis, Stabilization of Cowell’s method. Numer. Math. 13, 154–175 (1969)

    Article  Google Scholar 

  21. G.A. Panopoulos, Z.A. Anastassi, T.E. Simos, Two new optimized eight-step symmetric methods for the efficient solution of the Schrödinger equation and related problems. MATCH Commun. Math. Comput. Chem. 60(3), 773–785 (2008)

    CAS  Google Scholar 

  22. G.A. Panopoulos, Z.A. Anastassi, T.E. Simos, Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions. J. Math. Chem. 46(2), 604–620 (2009)

    Article  CAS  Google Scholar 

  23. http://www.burtleburtle.net/bob/math/multistep.html

  24. T.E. Simos, P.S. Williams, Bessel and Neumann fitted methods for the numerical solution of the radial Schrödinger equation. Comput. Chem. 21, 175–179 (1977)

    Article  Google Scholar 

  25. T.E. Simos, J. Vigo-Aguiar, A dissipative exponentially-fitted method for the numerical solution of the Schrödinger equation and related problems. Comput. Phys. Commun. 152, 274–294 (2003)

    Article  CAS  Google Scholar 

  26. T.E. Simos, G. Psihoyios, J. Comput. Appl. Math. 175(1): IX–IX (2005)

  27. T. Lyche, Chebyshevian multistep methods for ordinary differential eqations. Numer. Math. 19, 65–75 (1972)

    Article  Google Scholar 

  28. R.M. Thomas, Phase properties of high order almost P-stable formulae. BIT 24, 225–238 (1984)

    Article  Google Scholar 

  29. J.D. Lambert, I.A. Watson, Symmetric multistep methods for periodic initial values problems. J. Inst. Math. Appl. 18, 189–202 (1976)

    Article  Google Scholar 

  30. A. Konguetsof, T.E. Simos, A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation. J. Comput. Appl. Math. 158(1), 93–106 (2003)

    Article  Google Scholar 

  31. Z. Kalogiratou, T. Monovasilis, T.E. Simos, Symplectic integrators for the numerical solution of the Schrödinger equation. J. Comput. Appl. Math. 158(1), 83–92 (2003)

    Article  Google Scholar 

  32. Z. Kalogiratou, T.E. Simos, Newton–Cotes formulae for long-time integration. J. Comput. Appl. Math. 158(1), 75–82 (2003)

    Article  Google Scholar 

  33. G. Psihoyios, T.E. Simos, Trigonometrically fitted predictor-corrector methods for IVPs with oscillating solutions. J. Comput. Appl. Math. 158(1), 135–144 (2003)

    Article  Google Scholar 

  34. T.E. Simos, I.T. Famelis, C. Tsitouras, Zero dissipative, explicit Numerov-type methods for second order IVPs with oscillating solutions. Numer. Algorithms 34(1), 27–40 (2003)

    Article  Google Scholar 

  35. T.E. Simos, Dissipative trigonometrically-fitted methods for linear second-order IVPs with oscillating solution. Appl. Math. Lett. 17(5), 601–607 (2004)

    Article  Google Scholar 

  36. K. Tselios, T.E. Simos, Runge–Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics. J. Comput. Appl. Math. 175(1), 173–181 (2005)

    Article  Google Scholar 

  37. Ch. Tsitouras, T.E. Simos, On ninth order, explicit Numerov type methods with constant coefficients. Mediterr. J. Math. 15(2), 46 (2018). https://doi.org/10.1007/s00009-018-1089-9

    Article  Google Scholar 

  38. G. Psihoyios, T.E. Simos, A fourth algebraic order trigonometrically fitted predictor–corrector scheme for IVPs with oscillating solutions. J. Comput. Appl. Math. 175(1), 137–147 (2005)

    Article  Google Scholar 

  39. Z.A. Anastassi, T.E. Simos, An optimized Runge–Kutta method for the solution of orbital problems. J. Comput. Appl. Math. 175(1), 1–9 (2005)

    Article  Google Scholar 

  40. T.E. Simos, Closed Newton–Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems. Appl. Math. Lett. 22(10), 1616–1621 (2009)

    Article  Google Scholar 

  41. S. Stavroyiannis, T.E. Simos, Optimization as a function of the phase-lag order of nonlinear explicit two-step P-stable method for linear periodic IVPs. Appl. Numer. Math. 59(10), 2467–2474 (2009)

    Article  Google Scholar 

  42. T.E. Simos, Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation. Acta Appl. Math. 110(3), 1331–1352 (2010)

    Article  Google Scholar 

  43. T.E. Simos, new stable closed Newton–Cotes trigonometrically fitted formulae for long-time integration, in Abstract and Applied Analysis, Volume 2012, Article ID 182536, 15 p. (2012) https://doi.org/10.1155/2012/182536

  44. T.E. Simos, Optimizing a hybrid two-step method for the numerical solution of the Schrödinger equation and related problems with respect to phase-lag. J. Appl. Math., 2012, Article ID 420387, 17 p. https://doi.org/10.1155/2012/420387 (2012)

  45. I. Alolyan, T.E. Simos, A high algebraic order multistage explicit four-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives for the numerical solution of the Schrödinger equation. J. Math. Chem. 53(8), 1915–1942 (2015)

    Article  CAS  Google Scholar 

  46. I. Alolyan, T.E. Simos, Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrödinger equation. J. Math. Chem. 53(8), 1808–1834 (2015)

    Article  CAS  Google Scholar 

  47. I. Alolyan, T.E. Simos, A high algebraic order predictor–corrector explicit method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation and related problems. J. Math. Chem. 53(7), 1495–1522 (2015)

    Article  CAS  Google Scholar 

  48. I. Alolyan, T.E. Simos, A family of explicit linear six-step methods with vanished phase-lag and its first derivative. J. Math. Chem. 52(8), 2087–2118 (2014)

    Article  CAS  Google Scholar 

  49. T.E. Simos, An explicit four-step method with vanished phase-lag and its first and second derivatives. J. Math. Chem. 52(3), 833–855 (2014)

    Article  CAS  Google Scholar 

  50. I. Alolyan, T.E. Simos, A Runge–Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrödinger equation. J. Math. Chem. 52(3), 917–947 (2014)

    Article  CAS  Google Scholar 

  51. I. Alolyan, T.E. Simos, A predictor-corrector explicit four-step method with vanished phase-lag and its first, second and third derivatives for the numerical integration of the Schrödinger equation. J. Math. Chem. 53(2), 685–717 (2015)

    Article  CAS  Google Scholar 

  52. I. Alolyan, T.E. Simos, A hybrid type four-step method with vanished phase-lag and its first, second and third derivatives for each level for the numerical integration of the Schrödinger equation. J. Math. Chem. 52(9), 2334–2379 (2014)

    Article  CAS  Google Scholar 

  53. G.A. Panopoulos, T.E. Simos, A new optimized symmetric 8-step semi-embedded predictor–corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems. J. Math. Chem. 51(7), 1914–1937 (2013)

    Article  CAS  Google Scholar 

  54. T.E. Simos, New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. J. Math. Chem. 51(1), 194–226 (2013)

    Article  CAS  Google Scholar 

  55. T.E. Simos, High order closed Newton–Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. J. Math. Chem. 50(5), 1224–1261 (2012)

    Article  CAS  Google Scholar 

  56. D.F. Papadopoulos, T.E. Simos, A modified Runge–Kutta–Nyström method by using phase lag properties for the numerical solution of orbital problems. Appl. Math. Inf. Sci. 7(2), 433–437 (2013)

    Article  Google Scholar 

  57. Th Monovasilis, Z. Kalogiratou, T.E. Simos, Exponentially fitted symplectic Runge–Kutta–Nyström methods. Appl. Math. Inf. Sci. 7(1), 81–85 (2013)

    Article  Google Scholar 

  58. G.A. Panopoulos, T.E. Simos, An optimized symmetric 8-step semi-embedded predictor–corrector method for IVPs with oscillating solutions. Appl. Math. Inf. Sci. 7(1), 73–80 (2013)

    Article  Google Scholar 

  59. D.F. Papadopoulos, T.E. Simos, The Use of Phase Lag and Amplification Error Derivatives for the Construction of a Modified Runge–Kutta–Nyström Method, Abstract and Applied Analysis Article Number: 910624 Published: 2013

  60. I. Alolyan, Z.A. Anastassi, T.E. Simos, A new family of symmetric linear four-step methods for the efficient integration of the Schrödinger equation and related oscillatory problems. Appl. Math. Comput. 218(9), 5370–5382 (2012)

    Google Scholar 

  61. I. Alolyan, T.E. Simos, A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation. Comput. Math. Appl. 62(10), 3756–3774 (2011)

    Article  Google Scholar 

  62. Ch. Tsitouras, ITh Famelis, T.E. Simos, On modified Runge–Kutta trees and methods. Comput. Math. Appl. 62(4), 2101–2111 (2011)

    Article  Google Scholar 

  63. Ch. Tsitouras, ITh Famelis, T.E. Simos, Phase-fitted Runge–Kutta pairs of orders 8(7). J. Comput. Appl. Math. 321, 226–231 (2017)

    Article  Google Scholar 

  64. T.E. Simos, Ch. Tsitouras, Evolutionary generation of high order, explicit two step methods for second order linear IVPs. Math. Methods Appl. Sci. 40, 6276–6284 (2017)

    Article  Google Scholar 

  65. T.E. Simos, Ch. Tsitouras, A new family of 7 stages, eighth-order explicit Numerov-type methods. Math. Methods Appl. Sci. 40, 7867–7878 (2017)

    Article  Google Scholar 

  66. D.B. Berg, T.E. Simos, C. Tsitouras, Trigonometric fitted, eighth-order explicit Numerov-type methods. Math. Methods Appl. Sci. 41, 1845–1854 (2018)

    Article  Google Scholar 

  67. T.E. Simos, Ch. Tsitouras, Fitted modifications of classical Runge–Kutta pairs of orders 5(4). Math. Methods Appl. Sci. 41(12), 4549–4559 (2018)

    Article  Google Scholar 

  68. Ch. Tsitouras, T.E. Simos, Trigonometric fitted explicit Numerov type method with vanishing phase-lag and its first and second derivatives, Mediterr. J. Math. 15(4) Article Number: 168. https://doi.org/10.1007/s00009-018-1216-7 (2018)

  69. T.E. Simos, Ch. Tsitouras, ITh Famelis, Explicit numerov type methods with constant coefficients: a review. Appl. Comput. Math. 16(2), 89–113 (2017)

    Google Scholar 

  70. A.A. Kosti, Z.A. Anastassi, T.E. Simos, Construction of an optimized explicit Runge–Kutta–Nyström method for the numerical solution of oscillatory initial value problems. Comput. Math. Appl. 61(11), 3381–3390 (2011)

    Article  Google Scholar 

  71. Z. Kalogiratou, Th Monovasilis, T.E. Simos, New modified Runge–Kutta–Nystrom methods for the numerical integration of the Schrödinger equation. Comput. Math. Appl. 60(6), 1639–1647 (2010)

    Article  Google Scholar 

  72. Th Monovasilis, Z. Kalogiratou, T.E. Simos, A family of trigonometrically fitted partitioned Runge–Kutta symplectic methods. Appl. Math. Comput. 209(1), 91–96 (2009)

    Google Scholar 

  73. T. Monovasilis, Z. Kalogiratou, T.E. Simos, Construction of exponentially fitted symplectic Runge–Kutta–Nyström methods from partitioned Runge–Kutta methods. Mediterr. J. Math. 13(4), 2271–2285 (2016)

    Article  Google Scholar 

  74. T. Monovasilis, Z. Kalogiratou, H. Ramos, T.E. Simos, Modified two-step hybrid methods for the numerical integration of oscillatory problems. Math. Methods Appl. Sci. 40(4), 5286–5294 (2017)

    Article  Google Scholar 

  75. T.H.E.D.O.R.E.E. SIMOS, Multistage Symmetric two-step P-stable method with vanished phase-lag and its first, second and third derivatives. Appl. Comput. Math. 14(3), 296–315 (2015)

    Google Scholar 

  76. Z. Kalogiratou, Th Monovasilis, H. Ramos, T.E. Simos, A new approach on the construction of trigonometrically fitted two step hybrid methods. J. Comput. Appl. Math. 303, 146–155 (2016)

    Article  Google Scholar 

  77. H. Ramos, Z. Kalogiratou, Th Monovasilis, T.E. Simos, An optimized two-step hybrid block method for solving general second order initial-value problems. Numer. Algorithms 72, 1089–1102 (2016)

    Article  Google Scholar 

  78. T.E. Simos, High order closed Newton–Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equation. Appl. Math. Comput. 209(1), 137–151 (2009)

    Google Scholar 

  79. A. Konguetsof, T.E. Simos, An exponentially-fitted and trigonometrically-fitted method for the numerical solution of periodic initial-value problems. Comput. Math. Appl. 45(1–3), 547–554 (2003)

    Article  Google Scholar 

  80. T.E. Simos, A new explicit hybrid four-step method with vanished phase-lag and its derivatives. J. Math. Chem. 52(7), 1690–1716 (2014)

    Article  CAS  Google Scholar 

  81. T.E. Simos, On the explicit four-step methods with vanished phase-lag and its first derivative. Appl. Math. Inf. Sci. 8(2), 447–458 (2014)

    Article  Google Scholar 

  82. G.A. Panopoulos, T.E. Simos, A new optimized symmetric embedded predictor–corrector method (EPCM) for initial-value problems with oscillatory solutions. Appl. Math. Inf. Sci. 8(2), 703–713 (2014)

    Article  Google Scholar 

  83. G.A. Panopoulos, T.E. Simos, An eight-step semi-embedded predictor–corrector method for orbital problems and related IVPs with oscillatory solutions for which the frequency is unknown. J. Comput. Appl. Math. 290, 1–15 (2015)

    Article  Google Scholar 

  84. F. Hui, T.E. Simos, A new family of two stage symmetric two-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation. J. Math. Chem. 53(10), 2191–2213 (2015)

    Article  CAS  Google Scholar 

  85. L.G. Ixaru, M. Rizea, Comparison of some four-step methods for the numerical solution of the Schrödinger equation. Comput. Phys. Commun. 38(3), 329–337 (1985)

    Article  CAS  Google Scholar 

  86. L.G. Ixaru, M. Micu, Topics in Theoretical Physics (Central Institute of Physics, Bucharest, 1978)

    Google Scholar 

  87. L.G. Ixaru, M. Rizea, A Numerov-like scheme for the numerical solution of the Schrödinger equation in the deep continuum spectrum of energies. Comput. Phys. Commun. 19, 23–27 (1980)

    Article  Google Scholar 

  88. J.R. Dormand, M.E.A. El-Mikkawy, P.J. Prince, Families of Runge–Kutta–Nyström formulae. IMA J. Numer. Anal. 7, 235–250 (1987)

    Article  Google Scholar 

  89. J.R. Dormand, P.J. Prince, A family of embedded Runge–Kutta formulae. J. Comput. Appl. Math. 6, 19–26 (1980)

    Article  Google Scholar 

  90. G.D. Quinlan, S. Tremaine, Symmetric multistep methods for the numerical integration of planetary orbits. Astron. J. 100, 1694–1700 (1990)

    Article  Google Scholar 

  91. A.D. Raptis, A.C. Allison, Exponential-fitting methods for the numerical solution of the Schrödinger equation. Comput. Phys. Commun. 14, 1–5 (1978)

    Article  Google Scholar 

  92. M.M. Chawla, P.S. Rao, An Noumerov-typ method with minimal phase-lag for the integration of second order periodic initial-value problems II: explicit method. J. Comput. Appl. Math. 15, 329–337 (1986)

    Article  Google Scholar 

  93. M.M. Chawla, P.S. Rao, An explicit sixth-order method with phase-lag of order eight for \(y^{\prime \prime }=f(t, y)\). J. Comput. Appl. Math. 17, 363–368 (1987)

    Google Scholar 

  94. T.E. Simos, A new Numerov-type method for the numerical solution of the Schrödinger equation. J. Math. Chem. 46, 981–1007 (2009)

    Article  CAS  Google Scholar 

  95. A. Konguetsof, Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. J. Math. Chem. 48, 224–252 (2010)

    Article  CAS  Google Scholar 

  96. A.D. Raptis, J.R. Cash, A variable step method for the numerical integration of the one-dimensional Schrödinger equation. Comput. Phys. Commun. 36, 113–119 (1985)

    Article  CAS  Google Scholar 

  97. R.B. Bernstein, A. Dalgarno, H. Massey, I.C. Percival, Thermal scattering of atoms by homonuclear diatomic molecules. Proc. R. Soc. Ser. A 274, 427–442 (1963)

    Article  CAS  Google Scholar 

  98. R.B. Bernstein, Quantum mechanical (phase shift) analysis of differential elastic scattering of molecular beams. J. Chem. Phys. 33, 795–804 (1960)

    Article  CAS  Google Scholar 

  99. T.E. Simos, Exponentially fitted Runge–Kutta methods for the numerical solution of the Schrödinger equation and related problems. Comput. Mater. Sci. 18, 315–332 (2000)

    Article  Google Scholar 

  100. J.R. Dormand, P.J. Prince, A family of embedded Runge–Kutta formula. J. Comput. Appl. Math. 6, 19–26 (1980)

    Article  Google Scholar 

  101. Mu Kenan, T.E. Simos, A Runge–Kutta type implicit high algebraic order two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of coupled differential equations arising from the Schrödinger equation. J. Math. Chem. 53, 1239–1256 (2015)

    Article  CAS  Google Scholar 

  102. Minjian Liang, T.E. Simos, A new four stages symmetric two-step method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation. J. Math. Chem. 54(5), 1187–1211 (2016)

    Article  CAS  Google Scholar 

  103. Xiaopeng Xi, T.E. Simos, A new high algebraic order four stages symmetric two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems. J. Math. Chem. 54(7), 1417–1439 (2016)

    Article  CAS  Google Scholar 

  104. F. Hui, T.E. Simos, Hybrid high algebraic order two-step method with vanished phase-lag and its first and second derivatives. MATCH Commun. Math. Comput. Chem. 73, 619–648 (2015)

    Google Scholar 

  105. Z. Zhou, T.E. Simos, A new two stage symmetric two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the radial Schrödinger equation. J. Math. Chem 54, 442–465 (2016)

    Article  CAS  Google Scholar 

  106. F. Hui, T.E. Simos, Four stages symmetric two-step P-stable method with vanished phase-lag and its first, second, third and fourth derivatives. Appl. Comput. Math. 15(2), 220–238 (2016)

    Google Scholar 

  107. W. Zhang, T.E. Simos, A high-order two-step phase-fitted method for the numerical solution of the Schrödinger equation. Mediterr. J. Math. 13(6), 5177–5194 (2016)

    Article  Google Scholar 

  108. L. Zhang, T.E. Simos, An efficient numerical method for the solution of the Schrödinger equation, Advances in Mathematical Physics 2016 Article ID 8181927, 20 p. https://doi.org/10.1155/2016/8181927

  109. D. Ming, T.E. Simos, A new high algebraic order efficient finite difference method for the solution of the Schrödinger equation. Filomat Filomat 31(15), 4999–5012 (2017)

    Article  Google Scholar 

  110. R. LIN, T.E. Simos, A two-step method with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation. Open Phys. 14, 628–642 (2016)

    Article  Google Scholar 

  111. H. Ning, T.E. Simos, A low computational cost eight algebraic order hybrid method with vanished phase-lag and its first, second, third and fourth derivatives for the approximate solution of the Schrödinger equation. J. Math. Chem. 53(6), 1295–1312 (2015)

    Article  CAS  Google Scholar 

  112. Z. Wang, T.E. Simos, An economical eighth-order method for the approximation of the solution of the Schrödinger equation. J. Math. Chem. 55, 717–733 (2017)

    Article  CAS  Google Scholar 

  113. J. Ma, T.E. Simos, An efficient and computational effective method for second order problems. J. Math. Chem 55, 1649–1668 (2017)

    Article  CAS  Google Scholar 

  114. L. Yang, An efficient and economical high order method for the numerical approximation of the Schrödinger equation. J. Math. Chem. 55(9), 1755–1778 (2017)

    Article  CAS  Google Scholar 

  115. V.N. Kovalnogov, R.V. Fedorov, V.M. Golovanov, B.M. Kostishko, T.E. Simos, A four stages numerical pair with optimal phase and stability properties. J. Math. Chem. 56(1), 81–102 (2018)

    Article  CAS  Google Scholar 

  116. K. Yan, T.E. Simos, A finite difference pair with improved phase and stability properties. J. Math. Chem. 56(1), 170–192 (2018)

    Article  CAS  Google Scholar 

  117. J. Fang, C. Liu, T.E. Simos, A hybric finite difference pair with maximum phase and stability properties. J. Math. Chem. 56(2), 423–448 (2018)

    Article  CAS  Google Scholar 

  118. J. Yao, T.E. Simos, New finite difference pair with optimized phase and stability properties. J. Math. Chem. 56(2), 449–476 (2018)

    Article  CAS  Google Scholar 

  119. J. Zheng, C. Liu, T.E. Simos, A new two-step finite difference pair with optimal properties. J. Math. Chem. 56(3), 770–798 (2018)

    Article  CAS  Google Scholar 

  120. X. Shi, T.E. Simos, New five-stages finite difference pair with optimized phase properties. J. Math. Chem. 56(4), 982–1010 (2018)

    Article  CAS  Google Scholar 

  121. C. Liu, T.E. Simos, A five-stages symmetric method with improved phase properties. J. Math. Chem. 56(4), 1313–1338 (2018)

    Article  CAS  Google Scholar 

  122. J. Yao, T.E. Simos, New five-stages two-step method with improved characteristics. J. Math. Chem. to appear

  123. K. Yan, T.E. Simos, New Runge–Kutta type symmetric two-step method with optimized characteristics. J. Math. Chem. in press-online first

  124. V.N. Kovalnogov, R.V. Fedorov, A.A. Bondarenko, T.E. Simos, New hybrid two-step method with optimized phase and stability characteristics. J. Math. Chem. (in press)

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T. E. Simos: Highly Cited Researcher (http://isihighlycited.com/), Active Member of the European Academy of Sciences and Arts. Active Member of the European Academy of Sciences. Corresponding Member of European Academy of Arts, Sciences and Humanities.

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Qiu, GH., Liu, C. & Simos, T.E. A new multistep method with optimized characteristics for initial and/or boundary value problems. J Math Chem 57, 119–148 (2019). https://doi.org/10.1007/s10910-018-0940-3

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