# Performance of a time-independent scattering wave packet technique using real operators and wave functions

## Related Articles

- Time-dependent reactive scattering in the presence of narrow resonances: Avoiding long propagation times. Neuhauser, Daniel // Journal of Chemical Physics;10/1/1991, Vol. 95 Issue 7, p4927
Time-dependent scattering is extended to systems possessing narrow resonances. At short times the wave function is integrated directly, and at late times the wave function is expanded in terms of the slowly decaying (complex) resonance eigenfunctions of the Hamiltonian,...

- Evolution of wave packets constructed based on the scattering wave functions for one-dimensional potential. Khachatrian, A. Zh.; Voskanyan, D. R.; Soghomanyan, A. I. // Armenian Journal of Physics;2015, Vol. 8 Issue 4, p152
The evolution problem of wave processes in a field of a one-dimensional potential of an arbitrary is considered. We consider the wave packets constructed on a base of linear combinations of the scattering wave functions which are taken with magnitudes of state indices near to resonance tunneling...

- Time-dependent treatment of scattering: Integral equation approaches using the time-dependent amplitude density. Hoffman, David K.; Sharafeddin, Omar; Judson, Richard S.; Kouri, Donald J. // Journal of Chemical Physics;4/1/1990, Vol. 92 Issue 7, p4167
The time-dependent form of the Lippmannâ€“Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the...

- Application of the log-derivative method to variational calculations for inelastic and reactive scattering. Mrugal\a, Felicja // Journal of Chemical Physics;7/15/1990, Vol. 93 Issue 2, p1257
The log-derivative algorithm of Johnson is further generalized to evaluate transition amplitudes of orders up to third between states of free or bound character. These quantities appear in particular as constituents of a variety of low-order variational expressions for the reactance matrix which...

- Photodissociation and continuum resonance Raman cross sections and general Franckâ€“Condon intensities from S-matrix Kohn scattering calculations with application to the photoelectron spectrum of H2F-+hÎ½â†’H2+F, HF+H + e-. Zhang, John Z. H.; Miller, William H. // Journal of Chemical Physics;2/1/1990, Vol. 92 Issue 3, p1811
It is shown how the S-matrix version of the Kohn variational method for quantum scattering can be readily adapted to compute matrix elements involving the scattering wave function and also matrix elements of the scattering Greenâ€™s function. The former of these quantities is what is...

- Coping with the node problem in quantum hydrodynamics: The covering function method. Babyuk, Dmytro; Wyatt, Robert E. // Journal of Chemical Physics;11/15/2004, Vol. 121 Issue 19, p9230
A conceptually simple approach, the covering function method (CFM), is developed to cope with the node problem in the hydrodynamic formulation of quantum mechanics. As nodes begin to form in a scattering wave packet (detected by a monitor function), a nodeless covering wave function is added to...

- Semiclassical wave packet calculations on ion--molecule reactions: Studies on B... Vijay, Amrendra; Billing, G.D. // Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p2974
Investigates nonadiabatic scattering processes occurring in B+H2 reaction in the gas phase on triplet electronic surfaces. Use of a mixed quantum-classical approach to scattering of three particle systems in hyperspherical coordinates; Time-dependent Schrodinger equation; Wave packet...

- Performance of a fully close-coupled wave packet method for the H2+LiF(001) model problem. Kroes, G. J.; Snijders, J. G.; Mowrey, R. C. // Journal of Chemical Physics;4/1/1995, Vol. 102 Issue 13, p5512
We have investigated the performance of a fully close-coupled wave packet method and its symmetry-adapted version for a model problem of H2 scattering from LiF(001). The computational cost of the fully close-coupled methods scales linearly with the number of rotation-diffraction states present...

- Further partitioning of the reactant-product decoupling equations of state-to-state reactive... Althorpe, Stuart C.; Kouri, Donald J.; Hoffman, David K. // Journal of Chemical Physics;11/15/1997, Vol. 107 Issue 19, p7816
Studies the reactant-produced decoupling (RPD) equations of state-to-state reactive scattering. Introduction of the RPD equations; Solution for the time-independent wave packet (TIW) form of the RPD equations; Derivation of the TIW RPD equations; Application of the extended Chebyshev propagator...