Published January 1990
| Version v1
Journal article
A Fortran program for the numerical integration of the one-dimensional Schroedinger equation using exponential and Bessel fitting methods
Creators
- 1. Imperial Coll. of Science and Technology, London (UK). Dept. of Mathematics
- 2. Ethnikon Metsovion Polytechneion, Athens (Greece). Dept. of Mathematics
Description
An efficient algorithm is described for the accurate numerical integration of the one-dimensional Schroedinger equation. This algorithm uses a high-order, variable step Runge-Kutta like method in the region where the potential term dominates, and an exponential or Bessel fitted method in the asymptotic region. This approach can be used to compute scattering phase shifts in an efficient and reliable manner. A Fortran program which implements this algorithm is provided and some test results are given. (orig.)
Additional details
Additional titles
- Augmented title (English)
- PHASE1
Publishing Information
- Journal Title
- Computer Physics Communications
- Journal Volume
- 56
- Journal Issue
- 3
- Series
- Comput. Phys. Commun.
- Journal Page Range
- 391-407
- ISSN
- 0010-4655
- CODEN
- CPHCB
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 21040910
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Computer Program Description
- Descriptors DEI
- ALGORITHMS; BESSEL FUNCTIONS; COMPUTER CALCULATIONS; COMPUTER PROGRAM DOCUMENTATION; DEC COMPUTERS; EFFICIENCY; ELECTRON COLLISIONS; ELECTRONS; ERRORS; FORTRAN; IBM COMPUTERS; LENNARD-JONES POTENTIAL; MAXIMUM-LIKELIHOOD FIT; NONLINEAR PROBLEMS; ONE-DIMENSIONAL CALCULATIONS; P CODES; PARTIAL WAVES; PHASE SHIFT; POTENTIAL SCATTERING; QUANTUM MECHANICS; RUNGE-KUTTA METHOD; SCHROEDINGER EQUATION
- Descriptors DEC
- COLLISIONS; COMPUTER CODES; COMPUTERS; DIFFERENTIAL EQUATIONS; ELASTIC SCATTERING; ELEMENTARY PARTICLES; EQUATIONS; FERMIONS; FUNCTIONS; INTERPOLATION; LEPTONS; MECHANICS; NUMERICAL SOLUTION; PARTIAL DIFFERENTIAL EQUATIONS; POTENTIALS; PROGRAMMING LANGUAGES; SCATTERING; WAVE EQUATIONS
Optional Information
- Notes
- Cyber 170; FORTRAN V.