New insights in the development of Numerov-type methods with minimal phase-lag for the numerical solution of the Schrödinger equation

Computers and Chemistry

Volumn 25, Issue 1, 2001, Pages 77-82

  Simos, T E ^a   Williams, P S ^b  

^a DEMOCRITUS UNIVERSITY OF THRACE   (Greece)

^b LONDON METROPOLITAN UNIVERSITY   (United Kingdom)

Author keywords

Coupled differential equations; Finite differences; Multistep methods; Oscillating solutions; Phase shift problems; Phase lag; Radial schr dinger equation; Resonance problems; Scattering problems

Indexed keywords

ALGEBRA; DIFFERENTIAL EQUATIONS; FINITE DIFFERENCE METHOD; MATHEMATICAL MODELS; NUMERICAL METHODS; RESONANCE; SCATTERING;

NUMEROV METHODS; SCHRODINGER EQUATION;

CHEMISTRY;

EID: 0034744662     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(00)00090-5     Document Type: Article

References (15)

1. The numerical solution of coupled differential equations arising from the Schrödinger equation
2. Thermal scattering of atoms by homonuclear diatomic molecules
3. Quantum mechanical (phase shift) analysis of differential elastic scattering of molecular beams
4. Practical points concerning the solution of the Schrödinger equation
5. A high order method for the numerical solution of the one-dimensional Schrödinger equation
6. Numerical methods for y″ = f(x, y) via rational approximation for the cosine
7. High-order embedded Runge-Kutta-Nyström formulae
8. Symmetric multistep methods for periodic initial value problems
9. A variable step method for the numerical integration of the one-dimensional Schrödinger equation
10. Solving non-stiff ordinary differential equations - The state of the art
11. An explicit high order predictor-corrector method for periodic initial-value problems
12. Predictor-corrector phase-fitted methods for y″ = f(x, y) and an application to the Schrödinger equation
13. New Numerov-type methods for computing eigenvalues, resonances and phase shifts of the radial Schrödinger equation