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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Version 1.6 - published on 27 May 2014

doi:10.4231/D3GT5FG47 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/D3GT5FG47).

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Tags

  1. wavefunction
  2. visualization
  3. Schroedinger
  4. quantum mechanics
  5. quantum chemistry
  6. quantum
  7. NCN@Northwestern Supported
  8. NCN Supported
  9. Molecules
  10. molecular simulations
  11. molecular orbital
  12. molecular electronics
  13. MO theory
  14. graphics
  15. education/outreach
  16. education
  17. computational electronics
  18. computational chemistry
  19. chemistry
  20. ab initio
  21. nanoelectronics
  22. nanoelectronics
  23. ab initio
  24. chemistry
  25. computational chemistry
  26. computational electronics
  27. education
  28. education/outreach
  29. graphics
  30. molecular electronics
  31. MO theory
  32. molecular orbital
  33. molecular simulations
  34. Molecules
  35. quantum chemistry
  36. quantum
  37. quantum mechanics
  38. Schroedinger
  39. visualization
  40. wavefunction
  41. NCN@Northwestern Supported
  42. NCN@Northwestern Supported
  43. NCN Supported
  44. NCN Supported