A preconditioned domain decomposition algorithm for the solution of the elliptic Neumann problem

A new preconditioned conjugate gradient (PCG)-based domain decomposition method is given for the solution of linear equations arising in the finite element method applied to the elliptic Neumann problem. The novelty of the proposed method is in the recommended preconditioner which is constructed by using cyclic matrix. The resulting preconditioned algorithms are well suited to parallel computation.     

GENETIC VARIATIONS AND LINOLENIC ACID INDUCED CHANGES IN THE ORIENTATION PATTERN OF CHLOROPHYLL a IN THYLAKOID MEMBRANES

Abstract Orientation pattern of the Q_y absorption and emission dipoles of chlorophyll a were studied in wild type Scenedesmus obliquus and in mutants deficient in chlorophyll b and carotenoids. Fluorescence polarization ratio at –140°C and linear dichroism at 25°C were measured in whole cells and thylakoids aligned in polyacrylamide gel. Unlike normal thylakoids, mutants displayed fluorescence polarization ratios significantly lower than 1.0 and showed a negative LD signal around 672 nm, indicating the tendency of the Q_y dipoles to tilt out from the membrane plane. Such an orientation pattern can also be artificially induced by treating normal thylakoids with linolenic acid.     

A two-dimensional laser diameter gauge

A two-dimensional diameter control apparatus has been devised and constructed on the laser scanning principle, which uses a reference grating to determine the outer diameter of an object as well as the position of the scanning beam.     

Anatomy of relativistic energy corrections in light molecular systems

Relativistic energy corrections which arise from the use of the Dirac-Coulomb Hamiltonian, and the Gaunt and Breit interaction operators, plus Lamb-shift effects have been determined for the global minima of the ground electronic states of C₂H₆, NH₃, H₂O, [H,C,N], HNCO, HCOOH, SiC₂, SiH^? ₃, and H₂S, and for barrier characteristics for these molecular systems (inversion barrier of NH₃ and SiH^? ₃, barrier to linearity of H₂O, H₂S, and HNCO, rotational barrier of C₂H₆, difference between conformations of HCOOH (Z/E) and SiC₂ (linear/T-shaped), and isomerization barrier of HCN/HNC). The relativistic calculations performed at the Hartree-Fock and the highly correlated CCSD(T) levels employed a wide variety of basis sets. Comparison of the perturbational and the four-component fully variational results indicate that the Coulomb-Pauli Hamiltonian and the lowest order Hamiltonian of direct perturbation theory (DPT(2)) are highly successful for treating the relativistic energy effects in light molecular systems both at a single point on the potential energy hypersurface and along the surface. Electron correlation contributions to the relativistic corrections are relatively small for the systems studied, and are comparable with the 2-electron Darwin correction. Corrections beyond the Dirac-Coulomb treatment are usually rather small, but may become important for high accuracy ab initio calculations.