Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
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Visualization of Orbitals (4) Probability Density Distribution in the Three Dimensional Representation of Hydrogen pz, d3z2r2,or f5z3−3zr2 Orbitals in a Glass Block
Sumio TOKITA
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2015 Volume 14 Issue 5 Pages A38-A41

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Abstract
Probability density distribution in the 3-dimensional representation of hydrogen several p orbitals (Figure 2), d orbitals (Figure 3), or f orbitals (Figure 5) was developed [6, 7]. It was compared with 3-D isosurface model such as Figure 1 (c) or 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 density of the dots sculptured in the glass block (Figures 2, 3, 5) shows the probability density of finding an electron, so the nodal plane is well described as spherical shell(s) or planar and conical node(s) symmetrical about z axis (Figure 6) where the dots cannot be found. In the diagram of probability density distribution model, we can compare the size of the orbitals from their distribution regions. Number of these nodes together with planar nodes including z axis in hydrogen atomic orbitals is summarized in Table 1 in terms of n: principal quantum number, l: azimuthal quantum number, and m: magnetic quantum number.
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© 2015 Society of Computer Chemistry, Japan
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