Adiabatic T matrix theory for three dimensional reactive scattering: Application to the (H, H2) system

1983 ◽  
Vol 78 (7) ◽  
pp. 4523-4532 ◽  
Author(s):  
J. C. Sun ◽  
B. H. Choi ◽  
R. T. Poe ◽  
K. T. Tang

2017 ◽  
Vol 9 (3) ◽  
pp. 46
Author(s):  
Daniel Lee

Hexagonal grid methods are found useful in many research works, including numerical modeling in spherical coordinates, in atmospheric and ocean models, and simulation of electrical wave phenomena in cardiac tissues. Almost all of these used standard Laplacian and mostly on one configuration of regular hexagons. In this work, discrete symmetric boundary condition and energy product for anisotropic Laplacian are investigated firstly on general net of regular hexagons, and then generalized to its most extent in two- or three-dimensional cell-center finite difference applications up to the usage of symmetric stencil in central differences. For analysis of Laplacian related applications, this provides with an approach in addition to the M-matrix theory, series method, functional interpolations and Fourier vectors.



1995 ◽  
Vol 09 (10) ◽  
pp. 1227-1242
Author(s):  
MASUMI HATTORI ◽  
HUZIO NAKANO

The variational principle of irreversible processes, which was previously presented for the von Neumann equation as a stationarity problem and then converted into a maximum problem by contracting the density matrix perturbatively, is reinvestigated w.r.t. the contraction of the density matrix. The present contraction relies on the T-matrix theory of scattering, where no perturbational consideration enters. By taking the electron transport in solids as a typical example, the contraction is performed in two steps: the even component of the density matrix as to time reversal is eliminated first and then the off-diagonal elements in the scheme of diagonalizing the unperturbed Hamiltonian. The maximum problem thus obtained is for the diagonal elements of the odd component of the density matrix. The maximum condition gives the master equation, which is reduced to the Boltzmann-Bloch equation in the scheme of one-body picture. It is noticeable in this equation that the collision term is given in terms of the T-matrix in scattering theory.



Author(s):  
Wen-I Liao ◽  
Tsung-Jen Teng ◽  
Shiang-Jung Wang

This paper develops the transition matrix formalism for scattering from an three-dimensional alluvium on an elastic half-space. Betti’s third identity is employed to establish orthogonality conditions among basis functions that are Lamb’s singular wave functions. The total displacements and associated tractions exterior and interior to the surface are expanded in a Rayleigh series. The boundary conditions are applied and the T-matrix is derived. A linear transformation is utilized to construct a set of orthogonal basis functions. The transformed T-matrix is related to the scattering matrix and it is shown that the scattering matrix is symmetric and unitary and that the T-matrix is symmetric. Typical numerical results obtained by incident plane waves for verification are presented.





2002 ◽  
Author(s):  
Alexei D. Kiselev ◽  
A. A. Panyukov ◽  
Victor Y. Reshetnyak ◽  
Timothy J. Sluckin




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