351 research outputs found
Application of the Exact Muffin-Tin Orbitals Theory: the Spherical Cell Approximation
We present a self-consistent electronic structure calculation method based on
the {\it Exact Muffin-Tin Orbitals} (EMTO) Theory developed by O. K. Andersen,
O. Jepsen and G. Krier (in {\it Lectures on Methods of Electronic Structure
Calculations}, Ed. by V. Kumar, O.K. Andersen, A. Mookerjee, Word Scientific,
1994 pp. 63-124) and O. K. Andersen, C. Arcangeli, R. W. Tank, T.
Saha-Dasgupta, G. Krier, O. Jepsen, and I. Dasgupta, (in {\it Mat. Res. Soc.
Symp. Proc.} {\bf 491}, 1998 pp. 3-34). The EMTO Theory can be considered as an
{\it improved screened} KKR (Korringa-Kohn-Rostoker) method which is able to
treat large overlapping potential spheres. Within the present implementation of
the EMTO Theory the one electron equations are solved exactly using the Green's
function formalism, and the Poisson's equation is solved within the {\it
Spherical Cell Approximation} (SCA). To demonstrate the accuracy of the
SCA-EMTO method test calculations have been carried out.Comment: 20 pages, 10 figure
SOME PROBLEMS OF STATIC ANALYSIS OF FOLDED PLATE STRUCTURES
Folded plate structures are extensively dealt with in the literature, but there are some neglected problems the solution of which the design engineer needs. In this paper are treated: the static behaviour of folded plate structures under partial vertical and under horizontal loads; static analysis of the extreme elements, of triangular plates loaded
perpendicularly to their planes, and of plates subjected to in-plane concentrated forces; stability analysis of the plate elements
REMOVAL OF AMMONIA WITH BIOLOGICAL PROCESS IN THE TREATMENT OF DRINKING WATER
More than 128 wells for drinking water purposes in Hungary have higher ammonia concentration
than the limit required in the Hungarian Standard (MSZ) for water quality. The
situation in the 'Alföld' region is particularly bad. The main cause of the change in the
water quality derives from physicaL chemical and biological processes. The authors carried
out several examinations during one and a half year in Csongrády Country, Hungary, to
develop a water treatment process for small villages having similar problems. They examined
the polluted ground water containing iron, manganese, ammonia and the substances
which come to existence after airation, such as microbiological materials. The purpose
of the investigation was to remove these contaminants mainly ammonia by physical and
biological processes
Log Fano varieties over function fields of curves
Consider a smooth log Fano variety over the function field of a curve.
Suppose that the boundary has positive normal bundle. Choose an integral model
over the curve. Then integral points are Zariski dense, after removing an
explicit finite set of points on the base curve.Comment: 18 page
Degree formula for connective K-theory
We apply the degree formula for connective -theory to study rational
contractions of algebraic varieties. Examples include rationally connected
varieties and complete intersections.Comment: 14 page
Rational curves and bounds on the Picard number of Fano manifolds
We prove that Generalized Mukai Conjecture holds for Fano manifolds of
pseudoindex . We also give different proofs of the
conjecture for Fano fourfolds and fivefolds.Comment: Modified the proof of the main theorem and eliminated a statement
about the cone of curves. To appear in Geometriae Dedicat
Mono- and double carbonylation of aryl iodides with amine nucleophiles in the presence of recyclable palladium catalysts immobilised on a supported dicationic ionic liquid phase
Silica modified with organic dicationic moieties proved to be an excellent support for palladium catalysts used in the aminocarbonylation of aryl iodides. By an appropriate choice of the reaction conditions, the same catalyst could be used for selective mono- or double carbonylations leading to amide and [small alpha]-ketoamide products, respectively. The best catalyst could be recycled for at least 10 consecutive runs with a loss of palladium below the detection limit. By the application of the new support, efficient catalyst recycling could be achieved under mild reaction conditions (under low pressure and in a short reaction time). Palladium-leaching data support a mechanism with dissolution-re-precipitation of the active palladium species
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