scholarly journals A family of Numerov-type exponentially fitted predictor-corrector methods for the numerical integration of the radial Schrödinger equation

1996 ◽  
Vol 67 (2) ◽  
pp. 255-270 ◽  
Author(s):  
R.M. Thomas ◽  
T.E. Simos ◽  
G.V. Mitsou
Keyword(s):  
Schrödinger Equation ◽  
Numerical Integration ◽  
Schrodinger Equation ◽  
Radial Schrödinger Equation ◽  
Exponentially Fitted ◽  
Predictor Corrector

A new determination of the parameters of the optimized Heine–Abarenkov potential for 27 elements

1976 ◽  
Vol 54 (23) ◽  
pp. 2348-2354 ◽  
Author(s):  
E. R. Cowley
Keyword(s):  
Schrödinger Equation ◽  
Numerical Integration ◽  
Coulomb Potential ◽  
Schrodinger Equation ◽  
Energy Levels ◽  
Inhomogeneity Correction ◽  
Radial Schrödinger Equation

We have calculated the energy levels of the truncated Coulomb potential using numerical integration of the radial Schrödinger equation, rather than interpolation in tables. The results are used to give the parameters of the optimized Heine–Abarenkov potential for 27 elements. Various methods of weighting other contributions to the potential in the solid are used, and the inhomogeneity correction introduced by Ballentine and Gupta is discussed.

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.

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