Theoretical Electron Density Visualizer

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

Launch Tool

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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

This tool is closed source.

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Tools

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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," https://nanohub.org/resources/tedvis. (DOI: 10.4231/D3NV99976).

    BibTex | EndNote

Tags

  1. ab initio
  2. chemistry
  3. computational chemistry
  4. computational electronics
  5. education
  6. educational tool
  7. education/outreach
  8. graphics
  9. molecular electronics
  10. molecular orbital
  11. molecular simulations
  12. Molecules
  13. MO theory
  14. nanoelectronics
  15. NCN Group - Chemistry
  16. NCN@Northwestern Supported
  17. quantum
  18. quantum chemistry
  19. quantum mechanics
  20. Schroedinger
  21. visualization
  22. wavefunction