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1.
Duff Baker-Jarvis Nantel Bergeron Nathaniel Thiem 《Journal of Algebraic Combinatorics》2014,40(4):903-938
From a recent paper, we recall the Hopf monoid structure on the supercharacters of the unipotent uppertriangular groups over a finite field. We give cancellation-free formula for the antipode applied to the bases of class functions and power sum functions, giving new cancellation-free formulae for the standard Hopf algebra of supercharacters and symmetric functions in noncommuting variables. We also give partial results for the antipode on the supercharacter basis, and explicitly describe the primitives of this Hopf monoid. 相似文献
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In this paper, the spectral shape of the collision induced scattering is calculated in the dipole-induced-dipole approximation for the Raman symmetric vibrational band of optically isotropic molecules. Comparison is made with Rayleigh results. Experimental data for Rayleigh and v 1 Raman band of CF4 are discussed. 相似文献
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D. C. B. Duff und R. Holmes 《Fresenius' Journal of Analytical Chemistry》1937,109(3-4):138
Ohne Zusammenfassung 相似文献
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Iain S. Duff 《Annals of Operations Research》1990,22(1):241-252
We discuss methods for solving medium to large-scale sparse least-squares problems on supercomputers, illustrating our remarks by experiments on the CRAY-2 supercomputer at Harwell. The method we are primarily concerned with is an augmented system approach which has the merit of both robustness and accuracy, in addition to a kernel operation that is just the solution of a symmetric indefinite system. We consider extensions to handle weighted and constrained problems, and include experiments on systems similar to those arising in the Karmarkar algorithm for linear programming. We indicate how recent improvements to the kernel software could greatly improve the performance of the least-squares code.This paper is based on an invited talk by the author at a Workshop on Supercomputers and Large-Scale Optimization held at the Minnesota Supercomputing Center on 16th to 18th May, 1988. 相似文献
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Brunsvold AL Upadhyaya HP Zhang J Cooper R Minton TK Braunstein M Duff JW 《The journal of physical chemistry. A》2008,112(11):2192-2205
The dynamics of O(3P) + CO collisions at a hyperthermal collision energy near 80 kcal mol-1 have been studied with a crossed molecular beams experiment and with quasi-classical trajectory calculations on computed potential energy surfaces. In the experiment, a rotatable mass spectrometer detector was used to monitor inelastically and reactively scattered products as a function of velocity and scattering angle. From these data, center-of-mass (c.m.) translational energy and angular distributions were derived for the inelastic and reactive channels. Isotopically labeled C18O was used to distinguish the reactive channel (16O + C18O 16OC + 18O) from the inelastic channel (16O + C18O 16O + C18O). The reactive 16OC molecules scattered predominantly in the forward direction, i.e., in the same direction as the velocity vector of the reagent O atoms in the c.m. frame. The c.m. translational energy distribution of the reactively scattered 16OC and 18O was very broad, indicating that 16OC is formed with a wide range of internal energies, with an average internal excitation of approximately 40% of the available energy. The c.m. translational energy distribution of the inelastically scattered C18O and 16O products indicated that an average of 15% of the collision energy went into internal excitation of C18O, although a small fraction of the collisions transferred nearly all the collision energy into internal excitation of C18O. The theoretical calculations, which extend previously published results on this system, predict c.m. translational energy and angular distributions that are in near quantitative agreement with the experimentally derived distributions. The theoretical calculations, thus validated by the experimental results, have been used to derive internal state distributions of scattered CO products and to probe in detail the interactions that lead to the observed dynamical behavior. 相似文献