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Using accurate correlated wave functions calculated earlier by Bunge and by Larsson, we have constructed the Hohenberg-Kohn-Sham density functionals and exchange-correlation (ground-state) potentials and have obtained orbital energy eigenvalues for a number of light atoms by in principle exact numerical algorithms. While the uppermost occupied density-functional eigenvalue always gives an exact ex

Lignin depolymerisation can be utilized to produce value-added aromatic compounds. One of the major challenges in lignin depolymerisation study is the development of effective analytical tools to unravel the huge complexity of the depolymerisation product mixture. Traditional gas chromatography (GC) and high- performance liquid chromatography (HPLC) methods applied for this purpose are often in laLignin depolymerisation can be utilized to produce value-added aromatic compounds. One of the major challenges in lignin depolymerisation study is the development of effective analytical tools to unravel the huge complexity of the depolymerisation product mixture. Traditional gas chromatography (GC) and high- performance liquid chromatography (HPLC) methods applied for this purpose are often in la

Using two different methods inspired by duality transformations we present the equivalence between effective Lagrangians for massive vector mesons using a vector field and an antisymmetric tensor field. This completes the list of explicit field transformations between the various effective Lagrangian methods to describe massive vector and axial vector mesons. Our method automatically generates the

Phenomenological models of multiparticle production have become increasingly important for the interpretation of experimental data in high energy physics. The evolution of these models fills a gap left open by the present limited theoretical understanding of the hadronization process, i.e. the transformation of outgoing colored partons into color singlet hadrons. The three main schools of thought,

This dissertation deals with the effects of coherence and correlations on transport through nanostructures. Simulations are mainly performed using the second order von Neumann approach, a method capable of dealing with these effects in the presence of higher order tunneling. We see that such effects can result in various kinds of current suppression as well as efficient thermoelectric devices. Fu

The objective of this paper is to provide a general account of value relations. But it takes its departure is a special type of value relation, parity. The notion of parity is due to Ruth Chang. According to her, two items may be evaluatively comparable even when neither is better than, worse than, or equally good as the other. There is a fourth kind of comparability: being on a par. Recently, Jos

Many medical image analysis systems require segmentation of the structures of interest as a first step. For scans with gross pathology, automatic segmentation methods may fail. The authors' aim is to develop a versatile, fast, and reliable interactive system to segment anatomical structures. In this study, this system was used for segmenting lungs in challenging thoracic computed tomography (CT) s

In this article we present the first theoretical study of solvent effects on the rotatory strength tensor. The system chosen is solvated formaldehyde for which only one tensor element is nonvanishing, and the solvent is modeled as a linear, homogeneous, and isotropic dielectric continuum. We present results using both an equilibrium and a nonequilibrium description of the solvent. Four illustrativ