期刊
JOURNAL OF CHEMICAL EDUCATION
卷 90, 期 1, 页码 129-131出版社
AMER CHEMICAL SOC
DOI: 10.1021/ed300393s
关键词
First-Year Undergraduate/General; Chemoinformatics; Physical Chemistry; Internet/Web-Based Learning; Atomic Properties/Structure
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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