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.

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.

SOME MODIFIED RUNGE–KUTTA METHODS FOR THE NUMERICAL SOLUTION OF SOME SPECIFIC SCHRÖDINGER EQUATIONS AND RELATED PROBLEMS

1996 ◽  
Vol 11 (26) ◽  
pp. 4731-4744 ◽  
Author(s):  
T. E. SIMOS ◽  
P. S. WILLIAMS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Schrodinger Equation ◽  
Phase Lag ◽  
Kutta Method ◽  
Oscillatory Solutions ◽  
New Approach ◽  
Runge Kutta Method ◽  
Oscillating Solutions ◽  
Runge Kutta

Some new modified Runge–Kutta methods with minimal phase lag are developed for the numerical solution of the eigenvalue Schrödinger equation and related problems with oscillating solutions. These methods are based on the very well-known Runge–Kutta method of order 4. For the numerical solution of the eigenvalue Schrödinger equation, we investigate two cases: (i) the specific case in which the potential V(x) is an even function with respect to x; it is assumed, also, that the wave functions tend to zero for x → ±∞; (ii) the general case for the well-known cases of the Morse potential and Woods–Saxon or optical potential. Also, we have applied the new methods to some well-known problems with oscillatory solutions. Numerical and theoretical results show that this new approach is more efficient than the well-known classical fourth order Runge–Kutta method and the Numerov method.

A NEW SYMMETRIC EIGHT-STEP PREDICTOR-CORRECTOR METHOD FOR THE NUMERICAL SOLUTION OF THE RADIAL SCHRÖDINGER EQUATION AND RELATED ORBITAL PROBLEMS

2011 ◽  
Vol 22 (02) ◽  
pp. 133-153 ◽  
Author(s):  
G. A. PANOPOULOS ◽  
Z. A. ANASTASSI ◽  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
New Method ◽  
Phase Lag ◽  
Oscillating Solutions ◽  
Orbital Problems ◽  
Radial Schrödinger Equation ◽  
Algebraic Order ◽  
Predictor Corrector ◽  
Minimal Phase

A new general multistep predictor-corrector (PC) pair form is introduced for the numerical integration of second-order initial-value problems. Using this form, a new symmetric eight-step predictor-corrector method with minimal phase-lag and algebraic order ten is also constructed. The new method is based on the multistep symmetric method of Quinlan–Tremaine,1 with eight steps and 8th algebraic order and is constructed to solve numerically the radial time-independent Schrödinger equation. It can also be used to integrate related IVPs with oscillating solutions such as orbital problems. We compare the new method to some recently constructed optimized methods from the literature. We measure the efficiency of the methods and conclude that the new method with minimal phase-lag is the most efficient of all the compared methods and for all the problems solved.

scholarly journals The Use of Phase Lag and Amplification Error Derivatives for the Construction of a Modified Runge-Kutta-Nyström Method

2013 ◽  
Vol 2013 ◽  
pp. 1-11 ◽  
Author(s):  
D. F. Papadopoulos ◽  
T. E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Numerical Results ◽  
Phase Lag ◽  
Nyström Method ◽  
Nystrom Method ◽  
Modified Method ◽  
Algebraic Order ◽  
Runge Kutta

A new modified Runge-Kutta-Nyström method of fourth algebraic order is developed. The new modified RKN method is based on the fitting of the coefficients, due to the nullification not only of the phase lag and of the amplification error, but also of their derivatives. Numerical results indicate that the new modified method is much more efficient than other methods derived for solving numerically the Schrödinger equation.

scholarly journals An Efficient Numerical Method for the Solution of the Schrödinger Equation

2016 ◽  
Vol 2016 ◽  
pp. 1-20 ◽  
Author(s):  
Licheng Zhang ◽  
Theodore E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Truncation Error ◽  
New Method ◽  
Phase Lag ◽  
Local Truncation Error ◽  
Periodicity Analysis ◽  
Algebraic Order ◽  
Test Equation ◽  
Scalar Test Equation

The development of a new five-stage symmetric two-step fourteenth-algebraic order method with vanished phase-lag and its first, second, and third derivatives is presented in this paper for the first time in the literature. More specifically we will study(1)the development of the new method,(2)the determination of the local truncation error (LTE) of the new method,(3)the local truncation error analysis which will be based on test equation which is the radial time independent Schrödinger equation,(4)the stability and the interval of periodicity analysis of the new developed method which will be based on a scalar test equation with frequency different than the frequency of the scalar test equation used for the phase-lag analysis, and(5)the efficiency of the new obtained method based on its application to the coupled Schrödinger equations.

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