Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
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Visualization of Orbitals (3) Probability Density Distributionin the Three Dimensional Representationof Hydrogen s Orbitals in a Glass Block
Sumio Tokita
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2015 Volume 14 Issue 2 Pages A17-A20

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Abstract
Probability density distribution in the 3-dimensional representation of hydrogen 1s, 2s, and 3s orbitals in a 5 x 5 x 8 cm3 (Figure 4: top) or a 4 x 4 x 8 cm3 glass block (Figure 4: bottom) was developed [4]. It was compared with 3-D isosurface models (Figure 3 (a-d)). 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 shows the probability density of finding an electron, so the nodal plane is well described as spherical shell(s) where the dots cannot be found. In the diagram of probability density distribution model, we can compare the size of 1s orbital with that of 2s or 3s orbital from their distribution regions.
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© 2015 Society of Computer Chemistry, Japan
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