An Accurate Method for the Numerical Solution of the Schrödinger Equation

1997 ◽  
Vol 12 (26) ◽  
pp. 1891-1900 ◽  
Author(s):  
T. E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Free Parameter ◽  
Accurate Method ◽  
Numerical Results ◽  
Exponential Functions ◽  
New Methods ◽  
Radial Schrödinger Equation

We present here an accurate method for the numerical integration of the radial Schrödinger equation. The formula considered contains free parameter which are defined in order to integrate exponential functions. Numerical results also indicate that the new methods are much more accurate than other Numerov-type well-known methods.

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.

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.

An Eighth Order Exponentially Fitted Method for the Numerical Solution of the Schrödinger Equation

1998 ◽  
Vol 09 (02) ◽  
pp. 271-288 ◽  
Author(s):  
T. E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
New Method ◽  
Exponential Functions ◽  
Eighth Order ◽  
Exponentially Fitted ◽  
Exponentially Fitted Method ◽  
Free Parameters

An eighth order exponentially fitted method is developed for the numerical integration of the Schrödinger equation. The formula considered contains certain free parameters which allow it to be fitted automatically to exponential functions. This is the first eighth order exponentially fitted method in the literature. Numerical results also indicate that the new method is much more accurate than other classical and exponentially fitted methods.

SOME LOW ORDER TWO-STEP ALMOST P-STABLE METHODS WITH PHASE-LAG OF ORDER INFINITY FOR THE NUMERICAL INTEGRATION OF THE RADIAL SCHRÖDINGER EQUATION

1995 ◽  
Vol 10 (16) ◽  
pp. 2431-2438 ◽  
Author(s):  
T.E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Local Error ◽  
Phase Lag ◽  
New Methods ◽  
Step Procedure ◽  
Radial Schrödinger Equation ◽  
Algebraic Order ◽  
Local Error Estimate

Some two-step P-stable methods with phase-lag of order infinity are developed for the numerical integration of the radial Schrödinger equation. The methods are of O(h2) and O(h4) respectively. We produce, based on these methods and on a new local error estimate, a very simple variable step procedure. Extensive numerical testing indicates that these new methods are generally more accurate than other two-step methods with higher algebraic order.

SIMPLE AND ACCURATE EXPLICIT BESSEL AND NEUMANN FITTED METHODS FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION

2000 ◽  
Vol 11 (01) ◽  
pp. 79-89 ◽  
Author(s):  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Schrodinger Equation ◽  
New Approach ◽  
New Methods ◽  
Radial Schrödinger Equation ◽  
Variable Step ◽  
Algebraic Order ◽  
Free Parameters ◽  
Step Algorithm

Explicit second and fourth algebraic order methods for the numerical solution of the Schrödinger equation are developed in this paper. The new methods have free parameters defined so that the methods are fitted to spherical Bessel and Neumann functions. Based on these new methods we obtained a variable-step algorithm. The results produced based on the numerical solution of the radial Schrödinger equation and the coupled differential equations arising from the Schrödinger equation indicate that this new approach is more efficient than other well known ones.

Modified THDRK methods for the numerical integration of the Schrödinger equation

2020 ◽  
Vol 31 (10) ◽  
pp. 2050149
Author(s):  
Yonglei Fang ◽  
Yanping Yang ◽  
Xiong You ◽  
Lei Ma
Keyword(s):  
Schrödinger Equation ◽  
Error Analysis ◽  
Numerical Solution ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Resonant State ◽  
Order Conditions ◽  
Large Energy ◽  
New Methods ◽  
Fifth Order

Modified three-derivative Runge–Kutta (MTHDRK) methods for the numerical solution of the resonant state for the Schrödinger equation are investigated. Order conditions are presented and oscillation-fitting conditions are derived. Two practical fifth-order explicit MTHDRK methods are constructed and the error analysis is carried out for large energy. The numerical results are presented for the numerical solution of the Schrödinger equation to show the robustness of our new methods.

A NEW NUMEROV-TYPE METHOD FOR COMPUTING EIGENVALUES AND RESONANCES OF THE RADIAL SCHRÖDINGER EQUATION

1996 ◽  
Vol 07 (01) ◽  
pp. 33-41 ◽  
Author(s):  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Numerical Results ◽  
New Method ◽  
Resonance Problem ◽  
Step Method ◽  
Type Method ◽  
Radial Schrödinger Equation ◽  
Better Than

A two-step method is developed for computing eigenvalues and resonances of the radial Schrödinger equation. Numerical results obtained for the integration of the eigenvalue and the resonance problem for several potentials show that this new method is better than other similar methods.

A new four-step P-stable Obrechkoff method with vanished phase-lag and some of its derivatives for the numerical solution of radial Schrödinger equation

2019 ◽  
Vol 354 ◽  
pp. 569-586 ◽  
Author(s):  
Ali Shokri ◽  
Jesús Vigo-Aguiar ◽  
Mohammad Mehdizadeh Khalsaraei ◽  
Raquel Garcia-Rubio
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Schrodinger Equation ◽  
Phase Lag ◽  
Radial Schrödinger Equation
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