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Intracule and Extracule Densities: Historical Perspectives and Future Prospects

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Many-Electron Densities and Reduced Density Matrices

Part of the book series: Mathematical and Computational Chemistry ((MACC))

Abstract

After nearly four decades of curiosity-driven research, electron-pair densities are about to become part of the incredible wealth of algorithms and computer codes that constitute contemporary electronic structure methods. The earliest studies of electron-pair densities focused on the relative motion of two electrons and aimed at gaining insights into the physical consequences of electron correlation. More recently, the balance has shifted in the direction of using information from electron-pair densities to develop faster computational methods for high-level, many-electron calculations.

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Author information

Authors and Affiliations

  1. Kimika Fakultatea, Euskal Herriko Unibertsitatea, Posta Kutxa 1072, 20080, Donostia, Euskadi, Spain

    Elmer Valderrama & Jesus M. Ugalde

  2. Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada, B3H 4J3

    Russell J. Boyd

Authors
  1. Elmer Valderrama
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  2. Jesus M. Ugalde
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  3. Russell J. Boyd
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Editors and Affiliations

  1. Florida State University, Tallahassee, Florida, USA

    Jerzy Cioslowski

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Valderrama, E., Ugalde, J.M., Boyd, R.J. (2000). Intracule and Extracule Densities: Historical Perspectives and Future Prospects. In: Cioslowski, J. (eds) Many-Electron Densities and Reduced Density Matrices. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4211-7_11

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  • DOI: https://doi.org/10.1007/978-1-4615-4211-7_11

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-6890-8

  • Online ISBN: 978-1-4615-4211-7

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