scholarly journals New modified Runge–Kutta–Nyström methods for the numerical integration of the Schrödinger equation

2010 ◽  
Vol 60 (6) ◽  
pp. 1639-1647 ◽  
Author(s):  
Z. Kalogiratou ◽  
Th. Monovasilis ◽  
T.E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Nyström Methods ◽  
Runge Kutta

A NEW METHODOLOGY FOR THE CONSTRUCTION OF OPTIMIZED RUNGE–KUTTA–NYSTRÖM METHODS

2011 ◽  
Vol 22 (06) ◽  
pp. 623-634 ◽  
Author(s):  
D. F. PAPADOPOULOS ◽  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
First Integrals ◽  
New Method ◽  
Phase Lag ◽  
Nyström Methods ◽  
Algebraic Order ◽  
Runge Kutta ◽  
First Time ◽  
Zero Phase

In this paper, a new Runge–Kutta–Nyström method of fourth algebraic order is developed. The new method has zero phase-lag, zero amplification error and zero first integrals of the previous properties. Numerical results indicate that the new method is very efficient for solving numerically the Schrödinger equation. We note that for the first time in the literature we use the requirement of vanishing the first integrals of phase-lag and amplification error in the construction of efficient methods for the numerical solution of the Schrödinger equation.

AN EMBEDDED RUNGE–KUTTA METHOD WITH PHASE-LAG OF ORDER INFINITY FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION

2000 ◽  
Vol 11 (06) ◽  
pp. 1115-1133 ◽  
Author(s):  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Phase Lag ◽  
Kutta Method ◽  
New Methods ◽  
Runge Kutta Method ◽  
Radial Schrödinger Equation ◽  
Runge Kutta

An embedded Runge–Kutta method with phase-lag of order infinity for the numerical integration of Schrödinger equation is developed in this paper. The methods of the embedded scheme have algebraic orders five and four. Theoretical and numerical results obtained for radial Schrödinger equation and for coupled differential equations show the efficiency of the new methods.

A NEW MODIFIED RUNGE–KUTTA–NYSTRÖM METHOD WITH PHASE-LAG OF ORDER INFINITY FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION AND RELATED PROBLEMS

2000 ◽  
Vol 11 (06) ◽  
pp. 1195-1208 ◽  
Author(s):  
T. E. SIMOS ◽  
JESUS VIGO AGUIAR
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Schrodinger Equation ◽  
New Method ◽  
Phase Lag ◽  
New Approach ◽  
Nyström Methods ◽  
Oscillating Solutions ◽  
Algebraic Order ◽  
Runge Kutta

In this paper, a new approach for developing efficient Runge–Kutta–Nyström methods is introduced. This new approach is based on the requirement of annihilation of the phase-lag (i.e., the phase-lag is of order infinity) and on a modification of Runge–Kutta–Nyström methods. Based on this approach, a new modified Runge–Kutta–Nyström fourth algebraic order method is developed for the numerical solution of Schrödinger equation and related problems. The new method has phase-lag of order infinity and extended interval of periodicity. Numerical illustrations on the radial Schrödinger equation and related problems with oscillating solutions indicate that the new method is more efficient than older ones.

EXPONENTIALLY-FITTED RUNGE–KUTTA THIRD ALGEBRAIC ORDER METHODS FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION AND RELATED PROBLEMS

1999 ◽  
Vol 10 (05) ◽  
pp. 839-851 ◽  
Author(s):  
T. E. SIMOS ◽  
P. S. WILLIAMS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Numerical Results ◽  
New Methods ◽  
Algebraic Order ◽  
Exponentially Fitted ◽  
Runge Kutta

Exponentially and trigonometrically fitted third algebraic order Runge–Kutta methods for the numerical integration of the Schrödinger equation are developed in this paper. Numerical results obtained for several well known problems show the efficiency of the new methods.

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