Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
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Visualization of Orbitals (6) Probability Density Distributionin the Three Dimensional Representation of Hydrogen 1s– 6h Orbitals in a Glass Block Part 1
Sumio TOKITA
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2016 Volume 15 Issue 2 Pages A35-A38

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Abstract

The solutions (χnlm) of the Schrödinger equation for the hydrogen atom contain the term exp(imφ). When m = 0, functions χnlm are real, however, in the cases of m ≠ 0, functions χnlm are complex. Probability density distribution of χn,n−1,m ( n = 1, 2, 3,…, 6 ) was sculptured in a glass block (Figures 1, 2). Each picture is symmetrical about the z axis. It was compared with a 3-D isosurface model such as Figure 4. Isosurface models can hardly show the entire region where an electron can be found. On the other hand, in the diagram of probability density distribution models, an electron is found everywhere around the nucleus. The number and shape of the planar and conical nodes symmetrical about the z axis are summarized in Figure 3.

 Schematic representation of the planar (orange) and conical (blue) nodes symmetrical about the z axis. Fullsize Image
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© 2016 Society of Computer Chemistry, Japan
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