𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A time-dependent formulation of the scattering matrix using Møller operators

✍ Scribed by David E. Weeks; David J. Tannor

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
769 KB
Volume
207
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Time-dependent wavepacket techniques are used together with the Moller operator formulation of scattering theory to derive an exact expression that relates scattering matrix elements to a correlation function between incoming reactant and outgoing product wavepackets. Using this expression, a computational strategy is developed for the numerical evaluation of scattering matrix elements that is focused on the independent propagation of reactant and product wavepackets. Computational efficiency is achieved through the use of different coordinates and interaction Hamiltonians that are well suited for the reactant and product channels. A simple one-dimensional scattering problem is used to illustrate the essential features of the method.

📜 SIMILAR VOLUMES

A time-dependent formulation of the scat
A time-dependent formulation of the scattering matrix for the collinear reaction H + H2 (υ) » H2 (υ′) + H
✍ David E. Weeks; David J. Tannor 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 680 KB

scattering matrix elements for the collinear reaction H + H2 ( u) -'Ha ( v') + H are computed using a new time-dependent method based on the Msller operator formulation of scattering theory. Reaction dynamics are determined by the LSTH potential energy surface where attention is focused on two asymp

Inverse scattering of Hz waves using loc
Inverse scattering of Hz waves using local shape-function imaging: A T-matrix formulation
✍ Gregory P. Otto; Weng Cho Chew 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 596 KB

Inverse scattering algorithms for H, polarized waves are scarce, due to the added difficulties of polarization charges. Nevertheless, the polarization charges cannot be ignored for 3D problems, as well as for 2D H, problems. This work aims to reconstruct arbitrary inhomogeneous dielectric objects fr

Accurate modeling of intermolecular forc
Accurate modeling of intermolecular forces: a systematic Møller-Plesset study of the argon dimer using correlation consistent basis sets
✍ David E. Woon 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 596 KB

The argon dimer potential energy curve has been investigated using Moller-Plesset perturbation theory through fourth-order (MP4) and the recently developed augmented correlation consistent basis sets for argon. The interaction energy has been determined using the supermolecule approach; trends in bo