Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem
The principle of“Geometrical Similarity as Topological Equivalence“ (the GSTE Principle) has been proposed and applied to the problems of molecular similarity in several studies (see, e.g. refs. 1–3 and references therein). The basic idea behind this principle is simple: similarity between two geometrical constructions can be expressed as a topological equivalence within a suitable chosen topology.
KeywordsTopological Space Betti Number Topological Similarity Underlying Space Local Electron Density
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