Solution procedures for block selection and sequencing in flat-bedded potash underground mines

Phosphates, and especially potash, play an essential role in the increase in crop yields. Potash is mined in Germany in underground mines using a conventional drill-and-blast technique. The most commercially valuable mineral contained in potash is the potassium chloride that is separated from the potash in aboveground processing plants. The processing plants perform economically best if the amount of potassium contained in the output is equal to a specific value, the so-called optimal operating point. Therefore, quality-oriented extraction plays a decisive role in reducing processing costs. In this paper, we mathematically formulate a block selection and sequencing problem with a quality-oriented objective function that aims at an even extraction of potash regarding the potassium content. We, thereby, have to observe some precedence relations, maximum and minimum limits of the output, and a quality tolerance range within a given planning horizon. We model the problem as a mixed-integer nonlinear program which is then linearized. We show that our problem is NP-hard in the strong sense with the result that a MILP-solver cannot find feasible solutions for the most challenging problem instances at hand. Accordingly, we develop a problem-specific constructive heuristic that finds feasible solutions for each of our test instances. A comprehensive experimental performance analysis shows that a sophisticated combination of the proposed heuristic with the mathematical program improves the feasible solutions achieved by the heuristic, on average, by 92.5%

Singular analysis and coupled cluster theory

Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.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

Singular analysis and coupled cluster theory

Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.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

Faktorisierung dünn besetzter, positiv definiter Matrizen

von Jürgen SchulzePaderborn, Univ., Diss., 200