Co-reporter:Shane P. Tully, Thomas M. Stitt, Robert D. Caldwell, Brian J. Hardock, Robert M. Hanson, and Przemyslaw Maslak
Journal of Chemical Education 2013 Volume 90(Issue 1) pp:129-131
Publication Date(Web):October 24, 2012
DOI:10.1021/ed300393s
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.Keywords: Atomic Properties/Structure; Chemoinformatics; First-Year Undergraduate/General; Internet/Web-Based Learning; Physical Chemistry;