Interactive Web-Based Pointillist Visualization of Hydrogenic Orbitals Using Jmol

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 nu...

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Bibliographic Details
Published in:Journal of chemical education 2013-01, Vol.90 (1), p.129-131
Main Authors: Tully, Shane P, Stitt, Thomas M, Caldwell, Robert D, Hardock, Brian J, Hanson, Robert M, Maslak, Przemyslaw
Format: Article
Language:English
Subjects:
Chemistry
College Science
Comparative analysis
Computer Uses in Education
Cutoffs
Displays
Electron density
Interactive Video
Internet
Molecular Structure
Monte Carlo Methods
Monte Carlo simulation
Nuclear Physics
Orbitals
Probability distribution
Quantum physics
Science Instruction
Visual Aids
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Description
Summary: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.
ISSN:0021-9584
1938-1328
DOI:10.1021/ed300393s