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Institute
- Institut für Mathematik (47) (remove)
The primary motivation for systematic bases in first principles electronic structure simulations is to derive physical and chemical properties of molecules and solids with predetermined accuracy. This requires a detailed understanding of the asymptotic behaviour of many-particle Coulomb systems near coalescence points of particles. Singular analysis provides a convenient framework to study the asymptotic behaviour of wavefunctions near these singularities. In the present work, we want to introduce the mathematical framework of singular analysis and discuss a novel asymptotic parametrix construction for Hamiltonians of many-particle Coulomb systems. This corresponds to the construction of an approximate inverse of a Hamiltonian operator with remainder given by a so-called Green operator. The Green operator encodes essential asymptotic information and we present as our main result an explicit asymptotic formula for this operator. First applications to many-particle models in quantum chemistry are presented in order to demonstrate the feasibility of our approach. The focus is on the asymptotic behaviour of ladder diagrams, which provide the dominant contribution to short-range correlation in coupled cluster theory. Furthermore, we discuss possible consequences of our asymptotic analysis with respect to adaptive wavelet approximation.
We find necessary conditions for a second order ordinary differential equation to be equivalent to the Painleve III equation under a general point transformation. Their sufficiency is established by reduction to known results for the equations of the form y ' = f (x, y). We consider separately the generic case and the case of reducibility to an autonomous equation. The results are illustrated by the primary resonance equation.
We consider the volume- normalized Ricci flow close to compact shrinking Ricci solitons. We show that if a compact Ricci soliton (M, g) is a local maximum of Perelman's shrinker entropy, any normalized Ricci flowstarting close to it exists for all time and converges towards a Ricci soliton. If g is not a local maximum of the shrinker entropy, we showthat there exists a nontrivial normalized Ricci flow emerging from it. These theorems are analogues of results in the Ricci- flat and in the Einstein case (Haslhofer and Muller, arXiv:1301.3219, 2013; Kroncke, arXiv: 1312.2224, 2013).
We present simulations of binary black-hole mergers in which, after the common outer horizon has formed, the marginally outer trapped surfaces (MOTSs) corresponding to the individual black holes continue to approach and eventually penetrate each other. This has very interesting consequences according to recent results in the theory of MOTSs. Uniqueness and stability theorems imply that two MOTSs which touch with a common outer normal must be identical. This suggests a possible dramatic consequence of the collision between a small and large black hole. If the penetration were to continue to completion, then the two MOTSs would have to coalesce, by some combination of the small one growing and the big one shrinking. Here we explore the relationship between theory and numerical simulations, in which a small black hole has halfway penetrated a large one.
In this work we extract the microphysical properties of aerosols for a collection of measurement cases with low volume depolarization ratio originating from fire sources captured by the Raman lidar located at the National Institute of Optoelectronics (INOE) in Bucharest. Our algorithm was tested not only for pure smoke but also for mixed smoke and urban aerosols of variable age and growth. Applying a sensitivity analysis on initial parameter settings of our retrieval code was proved vital for producing semi-automatized retrievals with a hybrid regularization method developed at the Institute of Mathematics of Potsdam University. A direct quantitative comparison of the retrieved microphysical properties with measurements from a Compact Time of Flight Aerosol Mass Spectrometer (CToF-AMS) is used to validate our algorithm. Microphysical retrievals performed with sun photometer data are also used to explore our results. Focusing on the fine mode we observed remarkable similarities between the retrieved size distribution and the one measured by the AMS. More complicated atmospheric structures and the factor of absorption appear to depend more on particle radius being subject to variation. A good correlation was found between the aerosol effective radius and particle age, using the ratio of lidar ratios (LR: aerosol extinction to backscatter ratios) as an indicator for the latter. Finally, the dependence on relative humidity of aerosol effective radii measured on the ground and within the layers aloft show similar patterns. (C) 2015 Elsevier Inc. All rights reserved.