Having trouble normalizing wave function

Click For Summary

Homework Help Overview

The discussion revolves around normalizing a wave function for an electron in a hydrogen atom, specifically focusing on the calculation of the normalization constant A. The wave function is expressed in spherical coordinates, and the original poster is attempting to evaluate an integral to find A.

Discussion Character

  • Mathematical reasoning, Assumption checking

Approaches and Questions Raised

  • The original poster attempts to calculate the integral of the wave function's modulus squared over the specified volume to find the normalization constant A. Some participants question the method of evaluating the integral, particularly the behavior of the integral as the upper limit approaches infinity. Others suggest clarifying the conventions used in spherical coordinates.

Discussion Status

Participants are actively engaging with the mathematical details of the integral, with some providing insights on the behavior of exponential functions compared to polynomial terms as limits are approached. There is a recognition of the need for clarity regarding the conventions of spherical coordinates, although some participants assert that this is not central to the original poster's current issue.

Contextual Notes

There are discussions about the conventions for spherical polar coordinates and the implications for the integral being evaluated. The original poster has expressed confusion regarding the limits of integration and the resulting behavior of the integral at infinity.

klaustukast
Electron in hydrogen atom is defined by this wave function :
Ψ(r,ϑ,φ)=Ar2exp(-2r/a)cos2(ϑ)exp(-3iφ)
proton is in the center of the coordinate system.a is a known positive constant.
I'm trying to find normalizing constant A.
Ψ*(r,ϑ,φ)=Ar2exp(-2r/a)cos2(ϑ)exp(3iφ)
I get that ∫∫∫(ψ*)ψdV=1.
dV=r2sinϑ dr dϑ dφ
i get ∫∫∫A2r6exp(-4r/a)cos4(ϑ)*sin(ϑ) dr dϑ dφ (integrals are definite 0 to π,0 to 2π and 0 to infinity) If I calculate this I should get a constant and get A from that.
Problem I'm having is calculating ∫dr(integral is from zero to infinity) part cause I get ∫(r^6exp(-4r/a))dr which is infinity if I put in infinity.Am I doing something incorrectly or is the given equation Ψ wrong?
 
Last edited by a moderator:
Physics news on Phys.org
klaustukast said:
part cause I get ∫(r^6 exp(-4r/a))dr which is infinity if I put in infinity.
What do you mean by "put in infinity"? Please be explicit and show your work.
 
Orodruin said:
What do you mean by "put in infinity"? Please be explicit and show your work.
Integral is definite from zero to infinity.
 
Again, please show your work.
 
Orodruin said:
Again, please show your work.
∫(r^6 exp(-4r/a))dr =
a*exp(-4r/a)*(256x6 + 384ax5 + 480a2x4 + 480a3x3 + 360a4x2 + 180a5x+45a6)/1024 and then I try to put in 0 and infinity cause its definite integral. And as you can see putting in infinity doesn't give me a constant so i can't find A. It gives me nonsense.
 
klaustukast said:
And as you can see putting in infinity doesn't give me a constant so i can't find A.
The upper bound of the integral is defined as the limit when ##r \to \infty##. What happens to your integrated expression in that limit?

(Also, note that you have a overall sign error.)
 
Orodruin said:
The upper bound of the integral is defined as the limit when ##r \to \infty##. What happens to your integrated expression in that limit?

(Also, note that you have a overall sign error.)
I posted wrong integral sorry. Correct one =-a*exp(-4r/a)*(256r6 + 384ar5 + 480a2r4 + 480a3r3 + 360a4r2 + 180a5r+45a6)/1024
If my r goes to infinity in this case its undefined right?
 
Last edited by a moderator:
klaustukast said:
Electron in hydrogen atom is defined by this wave function :
Ψ(r,ϑ,φ)=Ar2exp(-2r/a)cos2(ϑ)exp(-3iφ)
proton is in the center of the coordinate system.a is a known positive constant.
I'm trying to find normalizing constant A.
Ψ*(r,ϑ,φ)=Ar2exp(-2r/a)cos2(ϑ)exp(3iφ)
I get that ∫∫∫(ψ*)ψdV=1.
dV=r2sinϑ dr dϑ dφ
i get ∫∫∫r6exp(-4r/a)cos4(ϑ)*sin(ϑ) dr dϑ dφ (integrals are definite 0 to π,0 to 2π and 0 to infinity) If I calculate this I should get a constant and get A from that.
Problem I'm having is calculating ∫dr(integral is from zero to infinity) part cause I get ∫(r^6 =-exp(-4r/a))dra*exp(-4r/a)*(256r6 + 384ar5 + 480a2r4 + 480a3r3 + 360a4r2 + 180a5r+45a6)/1024 which is infinity if I put in infinity.Am I doing something incorrectly or is the given equation Ψ wrong?

There are two different conventions for spherical polar coordinates: (1) ##\theta## is the polar angle (latitude) and ##\phi## equatorial angle (longitude); or (2) ##\theta## is the equatorial angle (longitude) and ##\phi## is the polar angle (latitude). Convention (1) is used in most physics books and papers, while (2) is often used in math books and papers.

Which convention are you employing?
 
Ray Vickson said:
There are two different conventions for spherical polar coordinates: (1) ##\theta## is the polar angle (latitude) and ##\phi## equatorial angle (longitude); or (2) ##\theta## is the equatorial angle (longitude) and ##\phi## is the polar angle (latitude). Convention (1) is used in most physics books and papers, while (2) is often used in math books and papers.

Which convention are you employing?
Doesnt matter for my problem
 
  • #10
klaustukast said:
I posted wrong integral sorry. Correct one =-a*exp(-4r/a)*(256r6 + 384ar5 + 480a2r4 + 480a3r3 + 360a4r2 + 180a5r+45a6)/1024
If my r goes to infinity in this cases its undefined right?
Not right. What goes to infinity faster, exp(kr) or r^n (for fixed numbers k and n both > 0).

Ray Vickson said:
There are two different conventions for spherical polar coordinates: (1) ##\theta## is the polar angle (latitude) and ##\phi## equatorial angle (longitude); or (2) ##\theta## is the equatorial angle (longitude) and ##\phi## is the polar angle (latitude). Convention (1) is used in most physics books and papers, while (2) is often used in math books and papers.

Which convention are you employing?
This is not really relevant for the r-integral, which is what the OP is currently struggling with.

Regardless, the convention is clear from the expressions (physics convention).
 
  • Like
Likes   Reactions: klaustukast
  • #11
Orodruin said:
Not right. What goes to infinity faster, exp(kr) or r^n (for fixed numbers k and n both > 0).This is not really relevant for the r-integral, which is what the OP is currently struggling with.

Regardless, the convention is clear from the expressions (physics convention).
Thanks, I've got it.
 
  • #12
klaustukast said:
Thanks, I've got it.
Would you mind sharing your solution? Others might havd the same question and forum rules prevent discussing the full solution until it is clear that you have solved it.
 
  • #13
Orodruin said:
Would you mind sharing your solution? Others might havd the same question and forum rules prevent discussing the full solution until it is clear that you have solved it.
Since exp goes to infinity faster I get zero.And from bottom bound: when I put in zero I get 45a7/1024
 
  • #14
Right, that is correct.

Now, for completeness, there is a way of computing the integral without finding the explicit primitive function. Namely to do the variable substitution ##x = 4r/a##. This leads to the integral
$$
\int_0^\infty r^6 e^{-4r/a}dr = \frac{a^7}{2^{14}} \int_0^\infty x^6 e^{-x}dx =\frac{a^7}{2^{14} }\Gamma(7) =\frac{6! a^7}{2^{14}} = \frac{45a^7}{1024}.
$$
Of course, this requires familiarity with the gamma function, but it is a good idea to get familiar with it as a physicist.
 
  • Like
Likes   Reactions: klaustukast
  • #15
Orodruin said:
Not right. What goes to infinity faster, exp(kr) or r^n (for fixed numbers k and n both > 0).This is not really relevant for the r-integral, which is what the OP is currently struggling with.

Regardless, the convention is clear from the expressions (physics convention).

Yes, of course, I can guess. But why should I have to?
 
  • #16
Ray Vickson said:
Yes, of course, I can guess. But why should I have to?
I don't think it is necessary to guess. It is directly evident from the volume element (or the form of the spherical harmonic if you are so inclined). Besides, it is not really relevant to the OP’s issues presented in this thread - only the radial integral was. So no, I did not have to guess to help the OP with his problem. The answer would have been the same regardless of the convention.
 

Similar threads

  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 2 ·
Replies
2
Views
3K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 9 ·
Replies
9
Views
5K
Replies
4
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 5 ·
Replies
5
Views
2K
  • · Replies 1 ·
Replies
1
Views
1K
  • · Replies 19 ·
Replies
19
Views
3K