Abstract
In this work we consider explicit symplectic partitioned Runge–Kutta methods with five stages for problems with separable Hamiltonian. We construct three new methods, one with constant coefficients of eight phase-lag order and two phase-fitted methods.
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Abia L., Sanz-Serna J.M.: Partitioned Runge–Kutta methods for separable Hamiltonian problems. Math. Comput. 60, 617–634 (1993)
Anastassi Z.A., Simos T.E.: An optimized Runge–Kutta method for the solution of orbital problems. J. Comput. Appl. Math. 175, 1–9 (2005)
Brusa L., Nigro L.: A one-step method for direct integration of structural dynamic equations. Int. J. Numer. Methods Eng. 14, 685–699 (1980)
Hairer E., Lubich Ch., Wanner G.: Geometric Numerical Integration. Springer, Berlin (2002)
Kalogiratou Z., Monovasilis Th., Simos T.E.: Symplectic integrators for the numerical solution of the Schrödinger equation. J. Comput. Appl. Math. 158, 83–92 (2003)
Kalogiratou Z., Simos T.E.: Newton-Cotes formulae for long-time integration. J. Comput. Appl. Math. 158, 75–82 (2003)
Konguetsof A., Simos T.E.: A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation. J. Comput. Appl. Math. 158, 93–106 (2003)
McLachlan R.I.: On the numerical integration of ordinary differential equations by symmetric composition methods. SIAM J. Sci. Comput. 16, 151–168 (1995)
Monovasilis Th., Simos T.E.: Symplectic methods for the numerical of the Schrödinger equation. Comput. Mater. Sci. 38, 526–532 (2007)
Psihoyios G., Simos T.E.: Trigonometrically fitted predictor-corrector methods for IVPs with oscillating solutions. J. Comput. Appl. Math. 158, 135–144 (2003)
Psihoyios G., Simos T.E.: A fourth algebraic order trigonometrically fitted predictor-corrector scheme for IVPs with oscillating solutions. J. Comput. Appl. Math. 175, 137–147 (2005)
Raptis A.D., Simos T.E.: A four step phase-fitted method for the numerical integration of second order initial-value problems. BIT 31, 160–168 (1991)
Simos T.E.: A fourth algebraic order exponentially-fitted Runge–Kutta method for the numerical solution of the Schrödinger equation. IMA J. Numer. Anal. 21(4), 919–931 (2001)
Sakas D., Simos T.E.: Multiderivative methods of eighth algrebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation. J. Comput. Appl. Math. 175, 161–172 (2005)
Sanz-Serna J.M., Calvo M.P.: Numerical Hamiltonian Problem. Chapman and Hall, London (1994)
Simos T.E.: Exponentially-fitted Runge–Kutta–Nystrom method for the numerical solution of initial-value problems with oscillating solutions. Appl. Math. Lett. 15(2), 217–225 (2002)
Simos T.E., Famelis I.T., Tsitouras Ch.: Zero dissipative, explicit Numerov-type methods for second order IVPs with oscillating solutions. Numer. Algorithms 34, 27–40 (2003)
Simos T.E.: Dissipative trigonometrically-fitted methods for linear second-order IVPs with oscillating solution. Appl. Math. Lett. 17(5), 601–607 (2004)
Simos T.E.: Closed Newton–Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems. Appl. Math. Lett. 22(10), 1616–1621 (2009)
Simos T.E.: Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation. Applicandae Mathematicae 110(3), 1331–1352 (2010)
Stavroyiannis S., Simos T.E.: 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)
Tsitouras Ch., Simos T.E.: Optimized Runge–Kutta pairs for problems with oscillating solutions. J. Comput. Appl. Math. 147(2), 397–409 (2002)
Tselios K., Simos T.E.: Runge–Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics. J. Comput. Appl. Math. 175, 173–181 (2005)
Van Der Houwen P.J., Sommeijer B.P.: Explicit Runge–Kutta (-Nyström) methods with reduced phase errors for computing oscillating solutions. SIAM J. Numer. Anal. 24, 595–617 (1987)
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Monovasilis, T. Phase fitted symplectic partitioned Runge–Kutta methods for the numerical integration of the Schrödinger equation. J Math Chem 50, 1736–1746 (2012). https://doi.org/10.1007/s10910-012-0003-0
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DOI: https://doi.org/10.1007/s10910-012-0003-0