The generalized log-derivative method for inelastic and reactive collisionsa)

Abstract

Articles you may be interested inQuantum functional sensitivity analysis within the logderivative Kohn variational method for reactive scattering J. Chem. Phys. 97, 6226 (1992); 10.1063/1.463706 Application of the logderivative method to variational calculations for inelastic and reactive scattering A symmetrized generalized logderivative method for inelastic and reactive scattering J. Chem. Phys. 79, 5960 (1983); 10.1063/1.445778 Erratum: The generalized logderivative method for inelastic and reactive collisions [J.A generalization of the log-derivative method is presented which is useful for both reactive and nonreactive scattering problems. In the coupled system of radial equations for this problem a first derivative term is included for complete generality. Thus, this method may be used when, as is often the case in reactive or curve crossing problems, the equations contain a first derivative term. When no first derivative term is present and no reactive channels are present, the method reduces to the standard log-derivative method. A reactive scattering problem is solved as an example.,,=(~~:) 5954

Photoionization of two-electron atoms via highly doubly excited states: Numerical and semiclassical results

“…However, the method is restricted to inelastic scattering problems, that is, the calculation of reflection amplitudes. Introducing an invariant embedding type propagator, Mrugała and Secrest [34] generalized the method making it possible to also handle any reactive (transmission) amplitudes. They defined a generalized log-derivative propagator, called L propagator in what follows, in an interval [R ,R ] in the form of a 2M × 2M block matrix…”

“…[34,35] and will be explained in Appendix C1. However, to obtain T, we still need to deal with the differential equation (39), which contains the nonadiabatic coupling matrix A.…”

“…The technique of quantum maps is introduced starting from first principles and the semiclassical treatment is presented in all detail including a derivation of the modified exponent. In addition, we will introduce a numerical technique developed by Mrugała and co-workers [34][35][36] for calculating photoionization cross sections and present improved numerical calculations of total cross section and scattering wave solutions.…”

On the Construction of Analytic-Numerical Approximations for a Class of Coupled Differential Models in Engineering

“…Under hypothesis (6), is it easy to show that matrix ( ) ρ − +  is regular (see [18] for details) and we can introduce matrices 2 A  and 2 B  defined by ( ) Under the above assumptions, the homogeneous problem (1)-(4) was solved in [15] [16] in two different cases:…”

“…Coupled partial differential systems with coupled boundary-value conditions are frequent in different areas of science and technology, as in scattering problems in Quantum Mechanics [1]- [3], in Chemical Physics [4]- [6], coupled diffusion problems [7]- [9], modelling of coupled thermoelastoplastic response of clays subjected to …”