Interactive web-based pointillist visualization of hydrogenic orbitals using jmol

Shane P. Tully, Thomas M. Stitt, Robert D. Caldwell, Brian J. Hardock, Robert M. Hanson, Przemyslaw Maslak

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

A Monte Carlo method is used to generate interactive pointillist displays of electron density in hydrogenic orbitals. The Web applet incorporating Jmol viewer allows for clear and accurate presentation of three-dimensional shapes and sizes of orbitals up to n = 5, where n is the principle quantum number. The obtained radial probability distributions can be compared with theoretical curves on two-dimensional plots. The applet also produces orbital cross sections and contour plots and their three-dimensional isometric projections, illustrating the standing-wave nature of the orbitals. The classical boundary surfaces with various predetermine cutoffs may also be displayed for size comparisons. Nodal surfaces are available for all displays.

Original languageEnglish (US)
Pages (from-to)129-131
Number of pages3
JournalJournal of Chemical Education
Volume90
Issue number1
DOIs
StatePublished - Jan 8 2013

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visualization
projection
Visualization
Display devices
Probability distributions
Carrier concentration
Monte Carlo methods

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Education

Cite this

Tully, Shane P. ; Stitt, Thomas M. ; Caldwell, Robert D. ; Hardock, Brian J. ; Hanson, Robert M. ; Maslak, Przemyslaw. / Interactive web-based pointillist visualization of hydrogenic orbitals using jmol. In: Journal of Chemical Education. 2013 ; Vol. 90, No. 1. pp. 129-131.
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Interactive web-based pointillist visualization of hydrogenic orbitals using jmol. / Tully, Shane P.; Stitt, Thomas M.; Caldwell, Robert D.; Hardock, Brian J.; Hanson, Robert M.; Maslak, Przemyslaw.

In: Journal of Chemical Education, Vol. 90, No. 1, 08.01.2013, p. 129-131.

Research output: Contribution to journalArticle

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AU - Maslak, Przemyslaw

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