Variational formulation of the coupled-state impact-parameter method
- 1 July 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 10 (1) , 92-101
- https://doi.org/10.1103/physreva.10.92
Abstract
In the coupled-state impact-parameter method, the exact impact-parameter wave function is approximated by a trial impact-parameter wave function which is a finite linear combination of basis vectors with time-dependent coefficients. In the standard approach the coefficients are determined by solving the equations obtained by projecting the impact-parameter Schrödinger equation with the exact wave function replaced by the trial wave function onto the basis vectors which define the trial wave function. It is well known that this method gives variational estimates of the transition amplitudes if the basis vectors represent physical states. However, if in proton-hydrogen-atom scattering Sturmian basis vectors, which are for the most part nonphysical basis vectors, are used, the method is not variational. In this paper it is shown that if Sturmian basis vectors are used the method can be made variational by projecting the Schrödinger equation with the exact wave function replaced by the trial wave function onto the physical basis vectors of interest rather than onto the Sturmian basis vectors; the resultant equations are no more difficult to solve than the standard equations. It is also shown that useful variational bounds on the error of the estimate of a transition amplitude exist only if the trial wave function is expanded in terms of a physical basis set.
Keywords
This publication has 8 references indexed in Scilit:
- Impact-Parameter Method for Proton-Hydrogen-Atom Collisions. IV. Variational Methods for the Time-Dependent Impact-Parameter ModelPhysical Review A, 1973
- Detailed balance as a check on impact parameter calculationsJournal of Physics B: Atomic and Molecular Physics, 1973
- Rearrangement Collisions at Very High EnergiesPhysical Review A, 1973
- Time-reversal in the impact parameter methodJournal of Physics B: Atomic and Molecular Physics, 1973
- Coupled-State Calculations of Proton-Hydrogen Scattering in the Sturmian RepresentationPhysical Review B, 1968
- Evaluation of exchange matrix elements for heavy particle collisionsProceedings of the Physical Society, 1967
- A proof of detailed balancing for the impact parameter methodProceedings of the Physical Society, 1965
- Electron Capture by Protons passing through HydrogenProceedings of the Physical Society, 1960