Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem

  • Paul G. Mezey
Part of the Mathematical and Computational Chemistry book series (MACC)


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.


Topological Space Betti Number Topological Similarity Underlying Space Local Electron Density 
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Copyright information

© Springer Science+Business Media New York 2001

Authors and Affiliations

  • Paul G. Mezey
    • 1
    • 2
  1. 1.Institute for Advanced StudyCollegium BudapestBudapestHungary
  2. 2.Mathematical Chemistry Research Unit, Department of Chemistry and Department of Mathematics and StatisticsUniversity of SaskatchewanSaskatoonCanada

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