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Topological analysis of the electronic charge density (Teresa Borowiak, Poland)
Topics
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Introduction to topological analysis of electron density distributions (definitions of curvatures, the Hessian matrix, the electron density gradient, definition of a critical point; classification of critical points, properties of the density at critical points (total density, ellipticity); the Laplacian of the electronic charge density and its properties; characterization of atomic interactions and relationship to the Lewis electron pair model; other properties computable from the charge distribution, dipole moments, electrostatic potential, net atomic charges; some examples.
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