Interactive Web-Based Pointillist Visualization of Hydrogenic Orbitals Using Jmol

• Autores: Shane P. Tully, Thomas M. Stitt, Robert D. Caldwell, Brian J. Hardock, Robert M. Hanson, Przemyslaw Maslak
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 90, Nº 1, 2013, págs. 129-131
• Idioma: inglés
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• Resumen

  • 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.