A new proof of the analyticity of the electronic density of molecules

We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [1,2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [3,4] and on well-known elliptic technics. [1] S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, T. Oe stergaard Soerensen: The electron density is smooth away from the nuclei. Comm. Math. Phys. 228, no. 3 (2002), 401-415. [2] S. Fournais, M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, T. Oestergaard Soerensen: Analyticity of the density of electronic wave functions. Ark. Mat. 42, no. 1 (2004), 87-106. [3] W. Hunziker: Distortion analyticity and molecular resonances curves. Ann. Inst. H. Poincar\'e, s. A, t. 45, no 4, 339-358 (1986). [4] M. Klein, A. Martinez, R. Seiler, X.P. Wang: On the Born-Oppenheimer expansion for polyatomic molecules. Comm. Math. Phys. 143, no. 3, 607-639 (1992). The paper is published in Letters in Mathematical Physics 93, number 1, pp. 73-83, 2010. The original publication is available at " www.springerlink.com "

The spectrum of the random environment and localization of noise

We consider random walk on a mildly random environment on finite transitive d- regular graphs of increasing girth. After scaling and centering, the analytic spectrum of the transition matrix converges in distribution to a Gaussian noise. An interesting phenomenon occurs at d = 2: as the limit graph changes from a regular tree to the integers, the noise becomes localized.Comment: 18 pages, 1 figur

Mesoscale magnetism at the grain boundaries in colossal magnetoresistive films

We report the discovery of mesoscale regions with distinctive magnetic properties in epitaxial La$_{1-x}$Sr$_{x}$MnO$_{3}$ films which exhibit tunneling-like magnetoresistance across grain boundaries. By using temperature-dependent magnetic force microscopy we observe that the mesoscale regions are formed near the grain boundaries and have a different Curie temperature (up to 20 K {\it higher}) than the grain interiors. Our images provide direct evidence for previous speculations that the grain boundaries in thin films are not magnetically and electronically sharp interfaces. The size of the mesoscale regions varies with temperature and nature of the underlying defect.Comment: 4 pages of text, 4 figure

European Research Center for Information Systems (ERCIS):Gründungsveranstaltung Münster, 12. Oktober 2004

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Cluster Monte Carlo study of multi-component fluids of the Stillinger-Helfand and Widom-Rowlinson type

Phase transitions of fluid mixtures of the type introduced by Stillinger and Helfand are studied using a continuum version of the invaded cluster algorithm. Particles of the same species do not interact, but particles of different types interact with each other via a repulsive potential. Examples of interactions include the Gaussian molecule potential and a repulsive step potential. Accurate values of the critical density, fugacity and magnetic exponent are found in two and three dimensions for the two-species model. The effect of varying the number of species and of introducing quenched impurities is also investigated. In all the cases studied, mixtures of $q$-species are found to have properties similar to $q$-state Potts models.Comment: 25 pages, 5 figure

Topological effects in ring polymers: A computer simulation study

Unconcatenated, unknotted polymer rings in the melt are subject to strong interactions with neighboring chains due to the presence of topological constraints. We study this by computer simulation using the bond-fluctuation algorithm for chains with up to N=512 statistical segments at a volume fraction \Phi=0.5 and show that rings in the melt are more compact than gaussian chains. A careful finite size analysis of the average ring size R \propto N^{\nu} yields an exponent \nu \approx 0.39 \pm 0.03 in agreement with a Flory-like argument for the topologica interactions. We show (using the same algorithm) that the dynamics of molten rings is similar to that of linear chains of the same mass, confirming recent experimental findings. The diffusion constant varies effectively as D_{N} \propto N^{-1.22(3) and is slightly higher than that of corresponding linear chains. For the ring sizes considered (up to 256 statistical segments) we find only one characteristic time scale \tau_{ee} \propto N^{2.0(2); this is shown by the collapse of several mean-square displacements and correlation functions onto corresponding master curves. Because of the shrunken state of the chain, this scaling is not compatible with simple Rouse motion. It applies for all sizes of ring studied and no sign of a crossover to any entangled regime is found.Comment: 20 Pages,11 eps figures, Late

Quantum harmonic oscillator systems with disorder

We study many-body properties of quantum harmonic oscillator lattices with disorder. A sufficient condition for dynamical localization, expressed as a zero-velocity Lieb-Robinson bound, is formulated in terms of the decay of the eigenfunction correlators for an effective one-particle Hamiltonian. We show how state-of-the-art techniques for proving Anderson localization can be used to prove that these properties hold in a number of standard models. We also derive bounds on the static and dynamic correlation functions at both zero and positive temperature in terms of one-particle eigenfunction correlators. In particular, we show that static correlations decay exponentially fast if the corresponding effective one-particle Hamiltonian exhibits localization at low energies, regardless of whether there is a gap in the spectrum above the ground state or not. Our results apply to finite as well as to infinite oscillator systems. The eigenfunction correlators that appear are more general than those previously studied in the literature. In particular, we must allow for functions of the Hamiltonian that have a singularity at the bottom of the spectrum. We prove exponential bounds for such correlators for some of the standard models

Shadowing Effects on Vector Boson Production

We explore how nuclear modifications to the nucleon structure functions, shadowing, affect massive gauge boson production in heavy ion collisions at different impact parameters. We calculate the dependence of $Z^0$, $W^+$ and $W^-$ production on rapidity and impact parameter to next-to-leading order in Pb+Pb collisions at 5.5 TeV/nucleon to study quark shadowing at high $Q^2$. We also compare our Pb+Pb results to the $pp$ rapidity distributions at 14 TeV.Comment: 25 pages ReVTeX, 12 .eps figures, NLO included, version accepted for publication in Physical Review

The Effect of Shadowing on Initial Conditions, Transverse Energy and Hard Probes in Ultrarelativistic Heavy Ion Collisions

The effect of shadowing on the early state of ultrarelativistic heavy ion collisions is investigated along with transverse energy and hard process production, specifically Drell-Yan, $J/\psi$, and $\Upsilon$ production. We choose several parton distributions and parameterizations of nuclear shadowing, as well as the spatial dependence of shadowing, to study the influence of shadowing on relevant observables. Results are presented for Au+Au collisions at $\sqrt{s_{NN}} = 200$ GeV and Pb+Pb collisions at $\sqrt{s_{NN}} = 5.5$ TeV.Comment: Submitted to Phys. Rev.

Work function changes in the double layered manganite La1.2Sr1.8Mn2O7

We have investigated the behaviour of the work function of La1.2Sr1.8Mn2O7 as a function of temperature by means of photoemission. We found a decrease of 55 +/- 10 meV in going from 60 K to just above the Curie temperature (125 K) of the sample. Above T_C the work function appears to be roughly constant. Our results are exactly opposite to the work function changes calculated from the double-exchange model by Furukawa, but are consistent with other measurements. The disagreement with double-exchange can be explained using a general thermodynamic relation valid for second order transitions and including the extra processes involved in the manganites besides double-exchange interaction.Comment: 6 pages, 4 figures included in tex