electron density function

The electron probability distribution function, $ρ$ , defined as

$ρ r = n ∫ Ψ * r 1 r 2 ... r n Ψ r 1 r 2 ... r n ⁢ d r 2 ... d r n$

where $Ψ$ is an electronic wave-function and integration is made over the coordinates of all but the first electron of $n$ . The physical interpretation of the electron density function is that $ρ d r$ gives the probability of finding an electron in a volume element $d r$ , i.e., electron density in this volume.

Source:

PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1937

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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook.

Last update: 2014-02-24; version: 2.3.3.

DOI of this term: https://doi.org/10.1351/goldbook.ET07024.

Original PDF version: http://www.iupac.org/goldbook/ET07024.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.

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