Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aago_v1_0.gz(38 Kbytes) | ||
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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_0Distribution 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. |

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