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

doi:10.1021/ed300393s

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

Chemistry

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

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 language	English (US)
Pages (from-to)	129-131
Number of pages	3
Journal	Journal of Chemical Education
Volume	90
Issue number	1
DOIs	https://doi.org/10.1021/ed300393s
State	Published - Jan 8 2013

All Science Journal Classification (ASJC) codes

General Chemistry
Education

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10.1021/ed300393s

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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.",

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AU - Stitt, Thomas M.

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AU - Hanson, Robert M.

AU - Maslak, Przemyslaw

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AB - 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.

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Interactive web-based pointillist visualization of hydrogenic orbitals using jmol

Abstract

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