Journal of Mathematical Chemistry

, Volume 51, Issue 7, pp 1681–1683 | Cite as

On density function coordinate matrix

Letter to the Editor


The present letter presents a short discussion about the misleading name associated to a matrix, connected to (first order) density functions defined in turn within the LCAO-MO framework, which is widespread in quantum chemistry. The author proposes to call such a matrix form with the logical name of: density function coordinate matrix.


Density function Density matrix Density function coordinates Density function coordinate matrix LCAO-MO  Basis sets Charge and bond order matrix 


  1. 1.
    P.O. Löwdin, Phys. Rev. 97, 1474–1489 (1955)CrossRefGoogle Scholar
  2. 2.
    R. Carbó-Dorca, P. Bultinck, Math. Chem. 36, 201–210 (2004)CrossRefGoogle Scholar
  3. 3.
    R. Carbó-Dorca, P. Bultinck, Math. Chem. 36, 231–239 (2004)CrossRefGoogle Scholar
  4. 4.
    R. Carbó-Dorca, J. Math. Chem. 43, 1076–1101 (2007)CrossRefGoogle Scholar
  5. 5.
    R. Carbó-Dorca, J. Math. Chem. 43, 1102–1118 (2007)CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  1. 1.Institut de Química ComputacionalUniversitat de GironaGirona, CataloniaSpain

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