Well-balanced orientations of mixed graphs

We show that deciding if a mixed graph has a well-balanced orientation is NP-complete.     

Stable Isomers of Sila - and Germadodecahedrane. a Semiempirical (Am1) Investigation of the Structure of 4/6 and 4/5/6 Ring Containing E20 (E=SI, GE) Systems

AMI molecular orbital calculations with full geometry optimisation of 4/6, 5/5 and 4/5/6 isomers of E₂₀ (E=Si, Ge) show a clear preference of germanium to be accommodated in four membered rings and to achieve coordination numbers greater than 3 (V A). as a consequence, unlike C₂₀ or Si₂₀, the dodecahedral form of Ge₂₀ was not localised on the potential surface, instead an opened structure derived from an octagermaprismane (IV B) can be predicted. Notable kinetic stabilisation in the (SiR)₂₀ systems is suggested by the HOMO-LUMO differences.     

Photo-induced transformations in amorphous chalcogenide nano-multilayers

Photo-stimulated interdiffusion in a-Se/As₂S₃ amorphous chalcogenide nano-multilayers (ANML) is known as a useful method for amplitude-phase optical relief formation besides the known amorphous–amorphous or amorphous–crystalline photo-induced structural transformations (PST) in homogeneous chalcogenide layers, but it has a relatively narrow sensitivity spectral range and small amplitude modulation. Experimental evidences of improvement of optical recording processes were obtained in Te-, Bi-, Sb-containing nano-layered structures based on As₂S₃ matrix. The influence of nano-structuring and combination of components on the sensitivity, type of the recorded relief is discussed.     

Unconventional Charge Density Wave Arising from Electron–Phonon Interaction

We report of a theoretical study on quasi-one dimensional unconventional charge density wave (UCDW) driven by electron–phonon interaction. Within mean field theory, we find that the wavevector dependence of the coupling leads to a momentum dependent single particle gap on the Fermi surface. The presence of small energy single particle excitations around the gap nodes significantly changes the optical conductivity compared to the conventional CDW result. In addition to that, the collective phase excitation arising from fluctuation of the order parameter leads to further qualitative changes of the conductivity and results in an effective mass that is nonmonotonic in temperature.      

On the distance of databases

In the present paper a distance concept of databases is investigated. Two database instances are of distance 0, if they have the same number of attributes and satisfy exactly the same set of functional dependencies. This naturally leads to the poset of closures as a model of changing database. The distance of two databases (closures) is defined to be the distance of the two closures in the Hasse diagram of that poset. We determine the diameter of the poset and show that the distance of two closures is equal to the natural lower bound, that is to the size of the symmetric difference of the collections of closed sets. We also investigate the diameter of the set of databases with a given system of keys. Sharp upper bounds are given in the case when the minimal keys are 2 (or r)-element sets.     

An implementation of the coupled perturbed Kohn-Sham equations: perturbation due to nuclear displacements

The Coupled Perturbed Kohn-Sham equations have been implemented in the Amsterdam Density Functional program package. Our implementation differs from previous ones in many ways. This program uses density fitting to calculate the Coulomb and exchange integrals. Further, all matrix elements of the Fock type matrix and its derivatives are calculated by numerical integration. The frozen core approximation is also implemented. Our implementation is approximately 10 times faster than a finite difference algorithm, and the absolute CPU times also compare favorably with other reported implementations.     

Radiosity with Well Distributed Ray Sets

In this paper we present a new radiosity algorithm, based on the notion of a well distributed ray set (WDRS). A WDRS is a set of rays, connecting mutually visible points and patches, that forms an approximate representation of the radiosity operator and the radiosity distribution. We propose an algorithm that constructs an optimal WDRS for a given accuracy and mesh. The construction is based on discrete importance sampling as in previously proposed stochastic radiosity algorithms, and on quasi Monte Carlo sampling. Quasi Monte Carlo sampling leads to faster convergence rates and the fact that the sampling is deterministic makes it possible to represent the well distributed ray set very efficiently in computer memory. Like previously proposed stochastic radiosity algorithms, the new algorithm is well suited for computing the radiance distribution in very complex diffuse scenes, when it is not feasible to explicitly compute and store form factors as in classical radiosity algorithms. Experiments show that the new algorithm is often more efficient than previously proposed Monte Carlo radiosity algorithms by half an order of magnitude and more.     

Design and Expected Performance of GISMO-2, a Two Color Millimeter Camera for the IRAM 30 m Telescope

We present the main design features for the GISMO-2 bolometer camera, which we build for background-limited operation at the IRAM 30 m telescope on Pico Veleta, Spain. GISMO-2 will operate simultaneously in the 1 and 2 mm atmospherical windows. The 1 mm channel uses a \(32 \times 40\) TES-based backshort under grid (BUG) bolometer array, the 2 mm channel operates with a \(16 \times 16\) BUG array. The camera utilizes almost the entire full field of view provided by the telescope. The optical design of GISMO-2 was strongly influenced by our experience with the GISMO 2 mm bolometer camera, which is successfully operating at the 30 m telescope. GISMO is accessible to the astronomical community through the regular IRAM call for proposals.