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Beyond Standard Charge Density Topological Analyses

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Modern Charge-Density Analysis

Abstract

The analysis and treatment of density matrices provides the decisive key for the understanding of molecular and solid state systems. The density matrices not only reflect the energetic state of the system as the whole, but also open a possibility for a decomposition of a system into parts accessible to our imagination and experience. The interplay between the density matrices and the space partitioning with the focus on chemically relevant decomposition of molecular systems from the viewpoint of energy as well as the topology and the creation of new functionals is an important subject on the long journey to the comprehension of quantum chemistry.

To their great sorrow, Angel Martín Pendás, Miroslav Kohout, and Evelio Francisco announce the death of Professor Miguel Alvarez Blanco on April 4th, 2010.

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Acknowledgements

Financial support from the Spanish MEC, Project No. CTQ2006-02976, the MALTA Consolider program (CSD2007-00045), and the ERDF of the European Union, is acknowledged.

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Authors and Affiliations

  1. Dpto. Química Física y Analítica, Universidad de Oviedo, 33006, Oviedo, Spain

    Angel Martín Pendás, Miguel Alvarez Blanco & Evelio Francisco

  2. Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187, Dresden, Germany

    Miroslav Kohout

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  1. Angel Martín Pendás
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  2. Miroslav Kohout
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  3. Miguel Alvarez Blanco
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  4. Evelio Francisco
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Correspondence to Angel Martín Pendás or Miroslav Kohout .

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Editors and Affiliations

  1. Istit. di Scienze e Tecn. Molec. del CNR, c/o Dipt di Chim. Fis. ed Elettrochim., CNR-ISTM, Via Golgi 19, Milano, 20133, Italy

    Carlo Gatti

  2. , Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, Bern, 3012, Switzerland

    Piero Macchi

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Pendás, A.M., Kohout, M., Blanco, M.A., Francisco, E. (2011). Beyond Standard Charge Density Topological Analyses. In: Gatti, C., Macchi, P. (eds) Modern Charge-Density Analysis. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-3836-4_9

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