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1.
The evaluation of second derivatives of the electronic energy for nonvariational wave functions using an energy functional is discussed. It is shown that, in certain cases, the formation of the first-order relaxed density matrix leads to an efficient algorithm for the calculation of second-order response properties. Detailed formulas are given for second-order Møller–Plesset perturbation theory. © 1994 John Wiley & Sons, Inc. 相似文献
2.
After a discussion of a space of test functions and the corresponding space of distributions, a family of Banach spaces (B, ∥ ∥B) in standard situation is described. These are spaces of distributions having a pointwise module structure and also a module structure with respect to convolution. The main results concern relations between the different spaces associated to B established by means of well-known methods from the theory of Banach modules, among them B0 and , the closure of the test functions in B and the weak relative completion of B, respectively. The latter is shown to be always a dual Banach space. The main diagram, given in Theorem 4.7, gives full information concerning inclusions between these spaces, showing also a complete symmetry. A great number of corresponding formulas is established. How they can be applied is indicated by selected examples, in particular by certain Segal algebras and the Ap-algebras of Herz. Various further applications are to be given elsewhere. 相似文献
3.
C. Baumgarten B. Braun G. Court G. Ciullo P. Ferretti G. Graw W. Haeberli M. Henoch R. Hertenberger N. Koch H. Kolster P. Lenisa A. Nass S.P. Pod'yachev D. Reggiani K. Rith M.C. Simani E. Steffens J. Stewart T. Wise 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):37-49
The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage
rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of
the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target
gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion
process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation.
Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically.
These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally
it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow
one to determine the possible range of the corresponding density weighted average values along the tube. The calculations
are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target.
Received 9 July 2001 and Received in final form 18 September 2001 相似文献
4.
M. A. Braun 《Zeitschrift fur Physik C Particles and Fields》1992,56(4):643-652
Particle production at very high energies inhh, hA andAB collisions is studied in the framework of the pomeron model with a strong self-interaction proposed by Cardy. It is shown that the interaction between pomerons substancially damps the production rate one nuclei, the multiplicities forhA collisions becomingA-independent. 相似文献
5.
S. Park T. U. Kampen T. Kachel P. Bressler W. Braun D. R. T. Zahn 《Applied Surface Science》2002,190(1-4):376-381
The interaction of Ag and In with a thin film of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) was studied by near-edge X-ray absorption fine structure (NEXAFS). Upon Ag deposition on a PTCDA film of 20 nm thickness the relative intensities and lineshapes, as well as the angular dependence of the spectra remains unchanged, illustrating the formation of a chemically unreactive Ag/PTCDA interface. On the other hand, the adsorption of 0.3 nm In strongly decreases the intensity of the π* resonances in C and O K-edge NEXAFS spectra. This is attributed to a strong charge transfer between In and PTCDA, leading to a redistribution of the charge in the molecule. However, the absence of a strong shift or new features and negligible dependence of peak intensities corresponding to π* resonances on the In thickness indicate that the interaction between In and PTCDA is not accompanied by a covalent bond formation. 相似文献
6.
Rü diger W. Braun Reinhold Meise B. A. Taylor 《Proceedings of the American Mathematical Society》2003,131(8):2423-2433
We give a sufficient condition for a local radial Phragmén-Lindelöf principle on analytic varieties. This condition is expressed in terms of existence of hyperbolic directions.
7.
Jaume Carbonell Jean -Marc Richard Slawomir Wycech 《Zeitschrift für Physik A Hadrons and Nuclei》1992,343(3):325-329
We study the Coulomb and threshold corrections to the low-energy scattering parameters for the proton-antiproton system, with numerical examples based on current optical models. Some commonly used expressions are shown to be inconsistent with our results. We check that the Trueman formula is valid for the level shifts of protonium, provided one takes properly into account the Coulomb corrections to the scattering lengths and volumes. 相似文献
8.
9.
E. Braun G. Jackel B. Roden J. G. Sereni D. Wohlleben 《Zeitschrift für Physik B Condensed Matter》1988,72(2):169-173
We have measured the specific heat, the electrical resistance and the magnetic susceptibility of YBa2Cu3O7–x in a superconducting (sc) and in a non-superconducting (nsc) version. The latter was obtained by inducing a small loss of oxygen. In the sc sample we find a jump of the specific heat with C=3.6 J mole–1 K–1. Below the maximum nearT
c
the specific heat of the sc version drops too fast for an electronic effect alone: there is a cross-over from excess to deficiency already at 0.9T
c
. The specific heat of the nsc version shows a change of slope in the temperature range between 70 and 80 K, which indicates the existence of a second specific heat anomaly, which apparently exists independently of that due to the onset of superconductivity and explains at least partially the premature crossover.Alexander von Humboldt fellow. On leave in absence from Centro Atomico Bariloche—CNEA Argentina 相似文献
10.