Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] aago_v1_0.gz(38 Kbytes)
Manuscript Title: A general program to study the scattering of particles by solving coupled inhomogeneous second-order differential equations.
Authors: N. Chandra
Program title: SCAT
Catalogue identifier: AAGO_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 5(1973)417
Programming language: Fortran.
Computer: ICL 1907.
Operating system: GEORGE 2.
RAM: 60K words
Word size: 24
Peripherals: magnetic tape.
Keywords: General purpose, Quantum chemsitry, Atomic physics, Closed shell orbitals, Atom-atom, Atom-molecule, Cross-section, Rotational excitation, Rotational-vibrational Excitation, Coupled Differential equation, De vogelaere, K-matrix, Schrodinger equation, Continuum wavefunctions, Other, Scattering.
Classification: 2.6, 4.3.

Subprograms used:
Cat Id Title Reference
ACRK_v1_0 ASYM VERSION FOR 1900 CPC 5(1973)416

Nature of problem:
Many problems in quantum mechanical scattering theory reduce to the solution of coupled second-order differential equations. Examples include the scattering of electrons by atoms and molecules and the scattering of nucleons by nuclei. The program described in this paper solves a general set of such equations where the user is required to provide the potential matrix. The program also allows inhomogeneous terms to be included.

Solution method:
The coupled equations are integrated using the De Vogelaere algorithm. Linearly independent solutions are obtained by outward integration from the origin and inward integration from the asymptotic region. A complete set of linearly independent solutions are obtained by matching at some intermediate value of the radius and the K-matrix, S-matrix and cross section matrix evaluated.