Formulation of N- and ν-representable density functional theory. V. Exchange-only self-consistent field

The concept of a self-consistent field is developed within the version of density functional theory based on local-scaling transformations. It is shown that in this context there arise two types of consistency: one relating to the charge-consistency within an orbit and another to “orbit jumping.” The latter is analyzed in terms of one-particle equations. The connection with other methods is discussed. © 1992 John Wiley & Sons, Inc.     

An infinite-time relaxation theorem for differential inclusions

The fundamental relaxation result for Lipschitz differential inclusions is the Filippov-Wazewski Relaxation Theorem, which provides approximations of trajectories of a relaxed inclusion on finite intervals. A complementary result is presented, which provides approximations on infinite intervals, but does not guarantee that the approximation and the reference trajectory satisfy the same initial condition.

     

Reference priors for exponential families with simple quadratic variance function

Reference analysis is one of the most successful general methods to derive noninformative prior distributions. In practice, however, reference priors are often difficult to obtain. Recently developed theory for conditionally reducible natural exponential families identifies an attractive reparameterization which allows one, among other things, to construct an enriched conjugate prior. In this paper, under the assumption that the variance function is simple quadratic, the order-invariant group reference prior for the above parameter is found. Furthermore, group reference priors for the mean- and natural parameter of the families are obtained. A brief discussion of the frequentist coverage properties is also presented. The theory is illustrated for the multinomial and negative-multinomial family. Posterior computations are especially straightforward due to the fact that the resulting reference distributions belong to the corresponding enriched conjugate family. A substantive application of the theory relates to the construction of reference priors for the Bayesian analysis of two-way contingency tables with respect to two alternative parameterizations.     

A compact autocorrelator for the wavelength range between 4 and 10 μm

A compact autocorrelator suitable for the measurement of the optical pulse length of the infrared free electron laser (IR-FEL) at the S-DALINAC is described. It allows to investigate the energy transfer process from the electrons into the laser light within the undulator of the FEL. The autocorrelator utilizes the second harmonic generation (SHG) and it provides the possibility of a background-free measurement at wavelengths between 4 and 10 μm. Simulations for three different crystals used for SHG show that the largest efficiency for SHG and the best temporal resolution is achieved with a ZnGeP₂ crystal at a length of 2 mm. A test experiment at the free electron laser for infrared experiments confirmed the expected high efficiency of about 7.5% of SHG for the ZnGeP₂ crystal as well as the easy handling and fast adjustment of the system.     

Oxygen on Fe(100) and Fe(110)

Investigations of the electronic and magnetic properties of oxygen adsorbed on magnetized iron films have been carried out by means of angle and spin resolving photoelectron spectroscopy. Iron, epitaxially grown on W(100) and W(110) crystals, served as the ferromagnetic substrate. Exchange splittings of the O 2p_x derived level have been detected, demonstrating a magnetic coupling between the chemisorbate and the iron layer. Variations of the exchange splitting have occurred as a function of the oxygen coverage, photon energy, and emission angle. High oxygen exposures have lead to a FeO overlayer at the surface.     

Properties of levels in22Ne

Levels up to 9.3 MeV excitation in²²Ne were studied with the¹⁹ F(α, pγ) ²²Ne reaction atE _α = 12 MeV. Level energies, branching ratios, mean lifetimes, spins and mixing ratios were obtained for a number of levels. Relevant results are compared with many-particle shell-model calculations.