Demerits radial distribution functions

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Discussion Overview

The discussion revolves around the interpretation of radial distribution functions in quantum mechanics, specifically regarding the probability of finding an electron at a distance r from the nucleus in a 2p orbital. Participants explore the mathematical formulation and implications of the wave function in spherical coordinates.

Discussion Character

  • Technical explanation
  • Conceptual clarification
  • Homework-related

Main Points Raised

  • One participant questions why the plot of r²(Ψ²p)² is not a good representation of the probability of finding an electron at a distance r from the nucleus in a 2p orbital.
  • Another participant explains the use of spherical coordinates in calculating the probability distribution, detailing the integral form of the probability P(r) and the role of the wave function squared.
  • The same participant notes that the wave function can be expressed in terms of a function u, which simplifies the solution of the Schrödinger equation, leading to a cancellation of the r² factor in the probability integral.
  • A later reply seeks clarification on the term "cancels," indicating a level of uncertainty and a request for further explanation.
  • One participant expresses gratitude for the assistance received, suggesting a supportive atmosphere in the discussion.

Areas of Agreement / Disagreement

The discussion includes multiple viewpoints regarding the interpretation of the radial distribution functions and the mathematical treatment of the wave function. There is no consensus reached on the initial question posed.

Contextual Notes

Participants exhibit varying levels of familiarity with quantum mechanics, which may influence their understanding of the concepts discussed. Some mathematical steps and assumptions remain unresolved.

kenyanchemist
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i have a question, why is the plot of r2(Ψ2p)2 not a good representation of the probability of finding an electron at a distance r from the nucleus in a 2p orbital
 
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Well, in spherical coordinates you have
$$\mathrm{d}^3 \vec{x} = \mathrm{d} r \mathrm{d} \vartheta \mathrm{d} \varphi r^2 \sin \vartheta.$$
The wave function squared is the probability distribution. So the probability for finding a particle described by the wave function at a distance ##r## is
$$P(r)=\int_0^{\pi} \mathrm{d} \vartheta \int_0^{2 \pi} \mathrm{d} \varphi \, r^2 \sin \vartheta |\psi(r,\vartheta,\varphi)|^2.$$
Note that sometimes one writes
$$\psi(r, \vartheta,\varphi)=\frac{1}{r} u(r,\vartheta,\varphi),$$
because this ansatz simplifies the solution of the Schrödinger equation in spherical coordinates. In terms of ##u## the factor ##r^2## cancels in the above integral.
$$P(r)=\int_0^{\pi} \mathrm{d} \vartheta \int_0^{2 \pi} \mathrm{d} \varphi \, \sin \vartheta |u(r,\vartheta,\varphi)|^2.$$
 
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vanhees71 said:
Well, in spherical coordinates you have
$$\mathrm{d}^3 \vec{x} = \mathrm{d} r \mathrm{d} \vartheta \mathrm{d} \varphi r^2 \sin \vartheta.$$
The wave function squared is the probability distribution. So the probability for finding a particle described by the wave function at a distance ##r## is
$$P(r)=\int_0^{\pi} \mathrm{d} \vartheta \int_0^{2 \pi} \mathrm{d} \varphi \, r^2 \sin \vartheta |\psi(r,\vartheta,\varphi)|^2.$$
Note that sometimes one writes
$$\psi(r, \vartheta,\varphi)=\frac{1}{r} u(r,\vartheta,\varphi),$$
because this ansatz simplifies the solution of the Schrödinger equation in spherical coordinates. In terms of ##u## the factor ##r^2## cancels in the above integral.
$$P(r)=\int_0^{\pi} \mathrm{d} \vartheta \int_0^{2 \pi} \mathrm{d} \varphi \, \sin \vartheta |u(r,\vartheta,\varphi)|^2.$$
What do you mean by cancels?
I apologize, I am relatively new at quantum mechanics
 
and thanks so much... you have really helped me a lot
 

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