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.

STABILIZATION OF A FOUR-STEP EXPONENTIALLY-FITTED METHOD AND ITS APPLICATION TO THE SCHRÖDINGER EQUATION

2007 ◽  
Vol 18 (03) ◽  
pp. 315-328 ◽  
Author(s):  
T. E. SIMOS
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Linear Combination ◽  
Schrodinger Equation ◽  
Resonance Problem ◽  
Step Method ◽  
Numerical Experimentation ◽  
Radial Schrödinger Equation ◽  
Exponentially Fitted ◽  
Exponentially Fitted Method

In this paper we present a singularly P-stable exponentially — fitted four-step method for the numerical solution of the radial Schrödinger equation. More specifically we present a method that is singularly P-stable (a concept later introduced in this paper) and also integrates exactly any linear combination of the functions {1, x, x2, x3, x4, x5, exp (±Ivx)}. The numerical experimentation showed that our method is considerably more efficient compared to well-known methods used for the numerical solution of resonance problem of the radial Schrödinger equation.

A SYMMETRIC HIGH ORDER METHOD WITH MINIMAL PHASE-LAG FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION

2001 ◽  
Vol 12 (07) ◽  
pp. 1035-1042 ◽  
Author(s):  
T. E. SIMOS ◽  
JESUS VIGO AGUIAR
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
New Method ◽  
Phase Lag ◽  
Step Method ◽  
High Order Method ◽  
Radial Schrödinger Equation ◽  
Algebraic Order ◽  
Minimal Phase ◽  
Symmetric Method

In this paper, a new high algebraic order symmetric eight-step method is introduced. For this method, a direct formula for the computation of the phase-lag is given. Based on this formula, an eight-step symmetric method with minimal phase-lag is developed. The new method has better stability properties than the classical one. Numerical illustrations on the radial Schrödinger equation indicate that the new method is more efficient than older ones.

A TWELFTH-ORDER FOUR-STEP FORMULA FOR THE NUMERICAL INTEGRATION OF THE ONE-DIMENSIONAL SCHRÖDINGER EQUATION

2003 ◽  
Vol 14 (08) ◽  
pp. 1087-1105 ◽  
Author(s):  
ZHONGCHENG WANG ◽  
YONGMING DAI
Keyword(s):  
Schrödinger Equation ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Numerical Test ◽  
New Method ◽  
Step Method ◽  
One Dimensional ◽  
The Stability ◽  
The One ◽  
Order Four

A new twelfth-order four-step formula containing fourth derivatives for the numerical integration of the one-dimensional Schrödinger equation has been developed. It was found that by adding multi-derivative terms, the stability of a linear multi-step method can be improved and the interval of periodicity of this new method is larger than that of the Numerov's method. The numerical test shows that the new method is superior to the previous lower orders in both accuracy and efficiency and it is specially applied to the problem when an increasing accuracy is requested.

Hybrid high algebraic order two-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives

2016 ◽  
Vol 27 (05) ◽  
pp. 1650049 ◽  
Author(s):  
Junyan Ma ◽  
T. E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Truncation Error ◽  
Resonance Problem ◽  
Phase Lag ◽  
Step Method ◽  
Algebraic Order ◽  
Test Equation ◽  
The Stability ◽  
Scalar Test Equation

A hybrid tenth algebraic order two-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives are obtained in this paper. We will investigate • the construction of the method • the local truncation error (LTE) of the newly obtained method. We will also compare the lte of the newly developed method with other methods in the literature (this is called the comparative LTE analysis) • the stability (interval of periodicity) of the produced method using frequency for the scalar test equation different from the frequency used in the scalar test equation for phase-lag analysis (this is called stability analysis) • the application of the newly obtained method to the resonance problem of the Schrödinger equation. We will compare its effectiveness with the efficiency of other known methods in the literature. It will be proved that the developed method is effective for the approximate solution of the Schrödinger equation and related periodical or oscillatory initial value or boundary value problems.

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.

AN EIGHTH-ORDER METHOD WITH MINIMAL PHASE-LAG FOR ACCURATE COMPUTATIONS FOR THE ELASTIC SCATTERING PHASE-SHIFT PROBLEM

1996 ◽  
Vol 07 (06) ◽  
pp. 825-835 ◽  
Author(s):  
T. E. SIMOS
Keyword(s):  
Elastic Scattering ◽  
Phase Shift ◽  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Finite Difference Methods ◽  
New Method ◽  
Phase Lag ◽  
Step Method ◽  
Shift Problem ◽  
Scattering Phase

A new hybrid eighth-algebraic-order two-step method with phase-lag of order ten is developed for computing elastic scattering phase shifts of the one-dimensional Schrödinger equation. Based on this new method and on the method developed recently by Simos we obtain a new variable-step procedure for the numerical integration of the Schrödinger equation. Numerical results obtained for the integration of the phase shift problem for the well known case of the Lenard–Jones potential show that this new method is better than other finite difference methods.

scholarly journals Optimizing a Hybrid Two-Step Method for the Numerical Solution of the Schrödinger Equation and Related Problems with Respect to Phase-Lag

2012 ◽  
Vol 2012 ◽  
pp. 1-17 ◽  
Author(s):  
T. E. Simos
Keyword(s):  
Schrödinger Equation ◽  
Numerical Solution ◽  
Schrodinger Equation ◽  
Phase Lag ◽  
Step Method ◽  
Oscillating Solutions ◽  
Radial Schrödinger Equation

We use a methodology of optimization of the efficiency of a hybrid two-step method for the numerical solution of the radial Schrödinger equation and related problems with periodic or oscillating solutions. More specifically, we study how the vanishing of the phase-lag and its derivatives optimizes the efficiency of the hybrid two-step method.

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