Tools for analysing configuration interaction wavefunctions

The configuration interaction (CI) approach to quantum chemical calculations is a well-established means of calculating accurately the solution to the Schrodinger equation for many-electron systems. It represents the many-body electron wavefunction as a sum of spin-projected Slater determinants of orthogonal one-body spin-orbitals. The CI wavefunction becomes the exact solution of the Schrodinger equation as the length of the expansion becomes infinite, however, it is a difficult quantity to visualise and analyse for many-electron problems. We describe a method for efficiently calculating the spin-averaged one- and two-body reduced density matrices rho(psi)((r) over bar; (r) over bar' ) and Gamma(psi)((r) over bar (1), (r) over bar (2); (r) over bar'(1), (r) over bar'(2)) of an arbitrary CI wavefunction Psi. These low-dimensional functions are helpful tools for analysing many-body wavefunctions; we illustrate this for the case of the electron-electron cusp. From rho and Gamma one can calculate the matrix elements of any one- or two-body spin-free operator (O) over cap. For example, if (O) over cap is an applied electric field, this field can be included into the CI Hamiltonian and polarisation or gating effects may be studied for finite electron systems. (C) 2003 Elsevier B.V. All rights reserved.

Head-SAR dependence on spectacle frame shape for operator of 450 MHz personal radio

Power deposition in the head of a user wearing metal-framed spectacles was calculated with a 450 MHz personal radio transmitting in close proximity. Peak tissue SAR in the head depended on lens shape whether circular half-rim or rectangular with 70 and 174% increases, respectively, compared to the spectacle-free case. However, localised screening occurred with square frames, with a 40% reduction of peak SAR in the eye closest to the antenna.

Orbits of operators commuting with the Volterra operator

Asymptotic estimates of the norms of orbits of certain operators that commute with the classical Volterra operator V acting on L-P[0,1], with 1 0, but also to operators of the form phi (V), where phi is a holomorphic function at zero. The method to obtain the estimates is based on the fact that the Riemann-Liouville operator as well as the Volterra operator can be related to the Levin-Pfluger theory of holomorphic functions of completely regular growth. Different methods, such as the Denjoy-Carleman theorem, are needed to analyze the behavior of the orbits of I - cV, where c > 0. The results are applied to the study of cyclic properties of phi (V), where phi is a holomorphic function at 0.

New results on a classical operator

It is remarkable how the classical Volterra integral operator, which was one of the first operators which attracted mathematicians' attention, is still worth of being studied. In this essentially survey work, by collecting some of the very recent results related to the Volterra operator, we show that there are new (and not so new) concepts that are becoming known only at the present days. Discovering whether the Volterra operator satisfies or not a given operator property leads to new methods and ideas that are useful in the setting of Concrete Operator Theory as well as the one of General Operator Theory. In particular, a wide variety of techniques like summability kernels, theory of entire functions, Gaussian cylindrical measures, approximation theory, Laguerre and Legendre polynomials are needed to analyze different properties of the Volterra operator. We also include a characterization of the commutator of the Volterra operator acting on L-P[0, 1], 1