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The mixed regularity of electronic wave functions multiplied by explicit correlation factors

Harry Yserentant — 2011

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

The electronic Schrödinger equation describes the motion of electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3 variables, three spatial dimensions for each electron. Approximating them is thus inordinately challenging. As is shown in the author's monograph [Yserentant, 2000, Springer (2010)], the regularity of the solutions, which increases with the number of electrons, the decay behavior of their...

The mixed regularity of electronic wave functions multiplied by explicit correlation factors

Harry Yserentant — 2011

ESAIM: Mathematical Modelling and Numerical Analysis

The electronic Schrödinger equation describes the motion of electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3 variables, three spatial dimensions for each electron. Approximating them is thus inordinately challenging. As is shown in the author's monograph [Yserentant, , Springer (2010)], the regularity of the solutions, which increases with the number of electrons, the decay behavior...

Regularity and approximability of the solutions to the chemical master equation

Ludwig GaucklerHarry Yserentant — 2014

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

The chemical master equation is a fundamental equation in chemical kinetics. It underlies the classical reaction-rate equations and takes stochastic effects into account. In this paper we give a simple argument showing that the solutions of a large class of chemical master equations are bounded in weighted -spaces and possess high-order moments. This class includes all equations in which no reactions between two or more already present molecules and further external reactants occur...

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