Noniterative Solutions of Integral Equations for Scattering. I. Single Channels
- 1 December 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 51 (11), 4809-4814
- https://doi.org/10.1063/1.1671871
Abstract
A new method (homogeneous integral solution) for solving collision problems utilizing an integral equation formalism is presented. The approach is noniterative and applies equally well to purely local interactions or problems with combined local and nonlocal interactions. The method involves transforming the integral equation of scattering into a Volterra integral equation of the second kind. It follows that even for nonlocal interactions, the wavefunction may be determined noniteratively from knowledge of its value at a single point (the origin). A simple numerical procedure is proposed for solution of the Volterra equation which allows one to avoid matrix inversions completely. At the end of the calculation, the scattering or matrix is obtained directly from the solutions. The method is illustrated by a calculation of the singlet and triplet s‐wave Hartree–Fock phase shifts for electron–H‐atom scattering.
Keywords
This publication has 3 references indexed in Scilit:
- Coupled Equations and the Minimum Principle for Collisions of an Atom and a Diatomic Molecule, Including RearrangementsThe Journal of Chemical Physics, 1969
- Quantum-Mechanical Calculations of the Inelastic Cross Sections for Rotational Excitation of Para and Ortho H2 upon Collision with HeThe Journal of Chemical Physics, 1968
- The Solution of the Nonrelativistic Quantum Scattering Problem without ExchangeJournal of Mathematical Physics, 1966