Efficient computation of one-electron two-centre exchange integrals in ion–atom collisions

1976 ◽  
Vol 54 (9) ◽  
pp. 944-949 ◽  
Author(s):  
Alfred Msezane

A scheme is presented for the reduction to one-dimensional integrals of any one-electron two-centre exchange matrix elements which incorporate the momentum associated with the translational motion of the electron. These elements are of the types occurring in close coupling-based treatments of ion–atom collisions. It is shown in a six state approximation, by coupling both eigenstates and pseudostates for the asymmetric He2+–H collision process, that computing time for the evaluation of the matrix elements is determined mainly by the number of different exponents in the matrix elements. The coupling of additional states with the same principal quantum number as the already coupled ones alters computing time insignificantly.

1976 ◽  
Vol 54 (20) ◽  
pp. 2067-2073 ◽  
Author(s):  
E. G. Lukac

The study of the shape of the nuclear strength function is a line spreading problem in which one examines how a residual interaction spreads a model state into the actual states of a system. In previous studies of the strength function the matrix elements of the residual interaction have been treated as the elements of a random matrix whose connection with the underlying physics was rather tenuous. Here a model consisting of one-dimensional harmonic oscillators, which has a more visualizable correspondence than random matrixes to a microscopic picture of nuclear reactions, is employed. In this model it is shown that the strength function is not Lorentzian and how it differs from a Lorentzian. The calculations suggest that preferential population of certain types of states can be expected in nuclear reactions. Attention is also drawn to the importance for heavy ion reactions of cluster states in the compound nucleus.


Introduction .–Through the work of Bloch our understanding of the behaviour of electrons in crystal lattices has been much advanced. The principal idea of Bloch’s theory is the assumption that the interaction of a given electron with the other particles of the lattice may be replaced in first approximation by a periodic field of potential. With this model an interpretation of the specific heat, the electrical and thermal conductivity, the magnetic susceptibility, the Hall effect, and the optical properties of metals could be obtained. The advantages and limitations inherent in the assumption of Bloch will be much the same as those encountered when replacing the interaction of the electrons in an atom by a suitable central shielding of the unclear field, as in the work of Thomas and Hartree. In the papers quoted a number of general results were given regarding the behaviour of electrons in any periodic field of potential. To obtain a clearer idea of the details of this behaviour with a view to the application in special problems, however, it appeared worth while to investigate the mechanics of electrons in periodic fields of potential somewhat similar to those met with in practice and of such nature that the energy values W and eigenfunctions Ψ of the wave-equation can actually be computed. It is the purpose of this article to discuss a case where the integration is possible. In Section 1 the energy values and in Section 2 the wave-functions in their dependence on the binding introduced by the potential field are discussed for the one dimensional problem. In Section 3 the matrix elements of the linear momentum, which furnish the electric current associated with the various stationary states, are well as the probability of radiative transitions between these states, are evaluated. In Section 4 the results are extended to the three dimensional case and those features considered which one may expect to find in the case of more general periodic fields of potential. Section 5 deals with some applications to physical problems.


1951 ◽  
Vol 47 (3) ◽  
pp. 585-590 ◽  
Author(s):  
P. T. Landsberg

The following matrix problems are well known in quantum mechanics:(a) The one-dimensional harmonic oscillator. Givendetermine the eigenvalues hjj of H, and the matrix elements of X, P if H is diagonal. It is found (Wigner (4)) that


1998 ◽  
Vol 25 (1) ◽  
pp. 81-86 ◽  
Author(s):  
N Hearn ◽  
J Aiello

Experimental work on prismatic concrete specimens was conducted to determine the relationship between mechanical restraint and the rate of corrosion. The current together with the changes in strain of the confining frame were monitored during the accelerated corrosion tests. The effect of mix design and cracking on the corrosion rates was also investigated. The results show that one-dimensional mechanical restraint retards the corrosion process, as indicated by the reduction in the steel loss. Improved quality of the matrix, with and without cracking, reduces the rate of steel loss. In the inferior quality concrete, the effect of cracking on the corrosion rate is minimal.Key words: corrosion, concrete, repair.


Author(s):  
Stefan Hollands

AbstractWe introduce a new approach to find the Tomita–Takesaki modular flow for multi-component regions in general chiral conformal field theory. Our method is based on locality and analyticity of primary fields as well as the so-called Kubo–Martin–Schwinger (KMS) condition. These features can be used to transform the problem to a Riemann–Hilbert problem on a covering of the complex plane cut along the regions, which is equivalent to an integral equation for the matrix elements of the modular Hamiltonian. Examples are considered.


Author(s):  
Mariusz Pawlak ◽  
Marcin Stachowiak

AbstractWe present general analytical expressions for the matrix elements of the atom–diatom interaction potential, expanded in terms of Legendre polynomials, in a basis set of products of two spherical harmonics, especially significant to the recently developed adiabatic variational theory for cold molecular collision experiments [J. Chem. Phys. 143, 074114 (2015); J. Phys. Chem. A 121, 2194 (2017)]. We used two approaches in our studies. The first involves the evaluation of the integral containing trigonometric functions with arbitrary powers. The second approach is based on the theorem of addition of spherical harmonics.


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