Comparison of classical and quantum continuum expectation values
- 1 October 1975
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 30 (4) , 1221-1228
- https://doi.org/10.1080/00268977500102771
Abstract
Exact continuum diagonal matrix elements of interest in scattering theory have been compared with both a classical approximation and a WKB approximation at a range of energies and angular momenta. The matrix elements of the interactions R-n and exp (-αR)/R 2 are calculated with scattering wavefunctions describing motion in Lennard-Jones (12, 6) potentials supporting a varying number of bound states. The classical approximation is as simple to calculate as the classical angle of deflection and is much more easily calculated than the WKB approximation or the exact result. Apart from a few limited regions of little physical significance where quantum mechanical tunnelling is important, the classical approximation is very accurate provided the potential supports three or more vibrational states.Keywords
This publication has 15 references indexed in Scilit:
- Diatomic predissociation linewidthsPublished by Royal Society of Chemistry (RSC) ,1974
- Calculation of anisotropic glories for atom-molecule collisionsPhysica, 1973
- Semiclassical approximations in wave mechanicsReports on Progress in Physics, 1972
- Correspondence identities. V. The zero-energy Coulomb problemJournal of Physics B: Atomic and Molecular Physics, 1971
- Analytical Approach to Semiclassical Inelastic Collision Theory for General Impact ParametersThe Journal of Chemical Physics, 1970
- The efficient calculation of the transport properties of a dilute gas to a prescribed accuracyJournal of Computational Physics, 1970
- Some properties of bound and quasi-bound states for various interatomic potential functionsMolecular Physics, 1970
- Semiclassical Treatment of the Optical ModelThe Journal of Chemical Physics, 1970
- The numerical evaluation of the classical angle of deflection and of the J.W.K.B. phase shiftPhysica, 1964
- Energy exchange between inert gas atoms and a solid surfaceProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1932