The angular functions, Î(θ )Φ(Ï ), for the one-electron HartreeFock orbitals are the same as for the

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The angular functions, Θ(θ )Φ(φ ), for the one-electron Hartree€“Fock orbitals are the same as for the hydrogen atom, and the radial functions and radial probability functions are similar to those for the hydrogen atom. The contour coloring is explained in the caption to Figure 20.7. The following figure shows:

a. A contour plot in the xy plane with the y axis being the vertical axis,

The angular functions, Θ(θ )Φ(φ ), for the one-electron Hartree–Fock


b. The radial function,

Tрт (Лы


c. The radial probability distribution for a one-electron orbital. Identify the orbital (2s, 4dxz, and so on).

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Physical Chemistry

ISBN: 978-0321812001

3rd edition

Authors: Thomas Engel, Philip Reid

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