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Theoretical Electron Density Visualizer

By Baudilio Tejerina

Northwestern University

TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.

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Archive Version 1.3
Published on 21 Jun 2010
Latest version: 1.6. All versions

doi:10.4231/D3NV99976 cite this

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Abstract

TEDVis is intended to assist in the interpretation of molecular wave functions by calculating derived magnitudes and fields associated to the electron density (ED). In the current version, TEDVis is able to calculate and display 3D plots of the molecular ED, the Laplacian, and the energy densities kinetic (G) and potential (V).

References

Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Oxford University Press, 1994.

Cite this work

Researchers should cite this work as follows:

  • Baudilio Tejerina (2014), "Theoretical Electron Density Visualizer," http://nanohub.org/resources/tedvis. (DOI: 10.4231/D3NV99976).

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