Generalized sensitivity analysis in quantum collision theory
- 15 December 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (12) , 4824-4831
- https://doi.org/10.1063/1.438322
Abstract
This paper considers the sensitivity of the scattering matrix with respect to variations of input parameters including those that persist asymptotically. The analysis shows that the first order sensitivity coefficients (i.e., the partial derivatives with respect to input parameters) of the scattering matrix may be expressed in terms of the available solution of the Schrödinger equation. This work encompasses earlier results which appear as special cases. As an application sensitivity with respect to the total energy is considered and the relevance of the result to the energy behavior of observables is discussed. In a second application, we show how sensitivity analysis may be used to estimate corrections to effective Hamiltonian results and also to examine their accuracy. The coupled states and infinite order sudden methods are chosen to illustrate the approach. Finally, the scope of sensitivity analysis in quantum collision theory is discussed.Keywords
This publication has 9 references indexed in Scilit:
- The Green’s function method of sensitivity analysis in quantum dynamicsThe Journal of Chemical Physics, 1979
- The Green’s function method of sensitivity analysis in chemical kineticsThe Journal of Chemical Physics, 1978
- Parameter sensitivity of the ‘Limits to Growth’ world modelApplied Mathematical Modelling, 1976
- Theory of angular momentum decoupling approximations for rotational transitions in scatteringThe Journal of Chemical Physics, 1975
- Quantum mechanical close coupling approach to molecular collisions. jz -conserving coupled states approximationThe Journal of Chemical Physics, 1974
- Space-fixed vs body-fixed axes in atom-diatomic molecule scattering. Sudden approximationsThe Journal of Chemical Physics, 1974
- New Method for Constructing Wavefunctions for Bound States and ScatteringThe Journal of Chemical Physics, 1969
- Analytic Properties of Radial Wave FunctionsJournal of Mathematical Physics, 1960
- Zum Zusammenhang zwischen S-Matrix und Normierungsintegralen in der QuantenmechanikZeitschrift für Naturforschung A, 1955