Theoretical Electron Density Visualizer

By Baudilio Tejerina

Northwestern University

Calculates and displays 3D maps of molecular ED and its derivatives from the wave function

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Archive Version 1.0
Published on 07 Jul 2008, unpublished on 02 Aug 2008
Latest version: 1.6. All versions

doi:10.4231/D3FN10R6V cite this

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Abstract

TEDVis is intended to assist in the interpretation of molecular wave functions by calculating derived magnitudes associated with observable such as the electron density (ED). In the current version, TEDVis can calculate and display 3D plots of the ED, its Laplacian and the densities of kinetic (G) and potential (V) energies.

Cite this work

Researchers should cite this work as follows:

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

  • Baudilio Tejerina (2014), "Theoretical Electron Density Visualizer," https://nanohub.org/resources/tedvis. (DOI: 10.4231/D3FN10R6V).

    BibTex | EndNote

Tags

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