The total derivative of a wavefunction

Click For Summary

Discussion Overview

The discussion revolves around the total derivative of a wavefunction, specifically examining the integral of the gradient of the product of a wavefunction and its conjugate, ψ*ψ. Participants explore the implications of normalizability of the wavefunction and the application of Gauss' theorem in this context, with a focus on whether the integral can be evaluated at the limits of space.

Discussion Character

  • Technical explanation
  • Mathematical reasoning
  • Debate/contested

Main Points Raised

  • Some participants assert that the integral of d3x ∇(ψ*ψ) is zero if ψ is normalizable, suggesting it evaluates to ψ*ψ at the limits where ψ is zero.
  • Others reference Gauss' theorem, indicating that if ψ*ψ is localized, the integral will also be zero.
  • One participant questions whether the total derivative explanation can clarify the example, seeking a deeper understanding of the relationship between the integral and the total derivative.
  • There is a discussion about the necessity of using vector calculus to evaluate the integral, with some preferring this method over a total derivative approach.
  • Some participants agree that the integral of d3x ∇(ψ*ψ) becomes a surface integral at infinity, while others inquire about the behavior of the wavefunction at r=0.
  • Responses indicate that the behavior of the wavefunction at infinity is critical, while the limit at r=0 is deemed less significant in this context.

Areas of Agreement / Disagreement

Participants express differing views on the evaluation of the integral of d3x ∇(ψ*ψ), with some supporting the idea that it evaluates to zero due to normalizability, while others emphasize the importance of the surface integral at infinity. The discussion remains unresolved regarding the implications of the total derivative and the specific limits of integration.

Contextual Notes

Limitations include the dependence on the definitions of normalizability and the behavior of the wavefunction at infinity and at the origin, which are not fully resolved in the discussion.

dyn
Messages
774
Reaction score
63
I have read that the integral of d3x ∇(ψ*ψ) is zero because the total derivative vanishes if ψ is normalizable.
Does this mean that the integral of d3x ∇(ψ*ψ) is ψ*ψ evaluated at the limits where ψ is zero ?
Thanks
 
Physics news on Phys.org
Perhaps Gauss' theorem for gradients is useful here: https://math.stackexchange.com/ques...eorem-for-volume-integral-of-a-gradient-field If ## \psi^{\dagger} \psi ## is localized in extent, this says the result will be zero. ## \\ ## Additional item: The most use I have previously had for this gradient form of Gauss' law is to prove Archimededes' theorem, but every so often, it comes in handy. (Note: Force per unit volume in a fluid is ## f_v=-\nabla p ##. In addition, gravitational force per unit volume ## f_g=-\delta g \hat{z}##, where ## \delta ## is the density, in mass per unit volume. At equilibrium, the sum of the forces is zero. Archimedes' principle follows with a volume integral of this. Buoyant force=## -\int p \, \hat{n} dA=\int \delta g \, d^3 x ## ).
 
Last edited:
dyn said:
I have read that the integral of d3x ∇(ψ*ψ) is zero because the total derivative vanishes if ψ is normalizable.
Does this mean that the integral of d3x ∇(ψ*ψ) is ψ*ψ evaluated at the limits where ψ is zero ?
Thanks for your reply. I read the link but is it possible to explain this example using the total derivative explanation ?
 
dyn said:
Thanks for your reply. I read the link but is it possible to explain this example using the total derivative explanation ?
Perhaps. If ## \int \psi^{\dagger} \psi \, d^3 x=1 ## over a finite volume, than yes, that explanation would work. Otherwise, it is really necessary to go the complete vector calculus route. The complete vector calculus route is really the preferred one. The gradient is similar to, but, (in my opinion), is not exactly a differential. ## \\ ## In one dimension, with a differential you get ## \int\limits_{-\infty}^{+\infty} f'(x) \, dx= \int\limits_{-\infty}^{+\infty} d f(x)= f(+\infty)-f(-\infty) ##. With vector calculus and a volume integral of a gradient, you get a surface integral.
 
Last edited:
The integral over all space of ψ*ψ does equal 1 as the wavefunction is normalisable but is it correct to say that the integral of
d3x ∇(ψ*ψ) is ψ*ψ evaluated at the limits of space ?
 
dyn said:
The integral over all space of ψ*ψ does equal 1 as the wavefunction is normalisable but is it correct to say that the integral of
d3x ∇(ψ*ψ) is ψ*ψ evaluated at the limits of space ?
No. It becomes a surface integral of ## \int \psi^{\dagger} \psi \, \hat{n} dA ## at ## r=+\infty ##.
 
  • Like
Likes   Reactions: dyn
Charles Link said:
No. It becomes a surface integral of ## \int \psi^{\dagger} \psi \, \hat{n} dA ## at ## r=+\infty ##.
And that is because of Gauss' theorem for gradients and the fact that the wavefunction tends to zero as x,y.z all tend to ± infinity ?
If using spherical coordinates then ψ→0 as r→ infinity but what about the other limit r=0 ?
 
dyn said:
And that is because of Gauss' theorem for gradients and the fact that the wavefunction tends to zero as x,y.z all tend to ± infinity ?
If using spherical coordinates then ψ→0 as r→ infinity but what about the other limit r=0 ?
Yes, to your first question. And ## r=0 ## doesn't matter. Only the surface integral at ## r=+\infty ##.
 
  • Like
Likes   Reactions: dyn

Similar threads

  • · Replies 6 ·
Replies
6
Views
2K
  • · Replies 9 ·
Replies
9
Views
2K
  • · Replies 8 ·
Replies
8
Views
2K
  • · Replies 2 ·
Replies
2
Views
1K
  • · Replies 1 ·
Replies
1
Views
1K
  • · Replies 4 ·
Replies
4
Views
2K
  • · Replies 2 ·
Replies
2
Views
1K
  • · Replies 14 ·
Replies
14
Views
3K
  • · Replies 12 ·
Replies
12
Views
2K
  • · Replies 7 ·
Replies
7
Views
2K