Visualizing legendre polynomials in the hydrogen atom.

Thanks for taking the time. I probably messed up my wording. I know the shapes and I have seen them in chemisty class and such. The problem is that I'm not sure how to connect the position coordinates as seen on the image to the position coordinates of the wave function input.Why do we get these shapes by plugging the angle dependence into spherical coordinates. For this we make the radius a function of the angle. The way you explain the first one seems like the image indeed does represent the wave function coordinates.Basically I am looking for a reasoning to connect the fact that we solve the ##\Theta## function independently and find some polynomials, to plotting a radius in terms of these functions. Nothing in the wave function implies any connection
  • #1
Coffee_
259
2
1. The way we solved this problem was proposing that the wave function has to form of ##\Psi=\Theta\Phi R## where the three latter variables represent the anlge and radius function which are independent. The legendre polynomials were the solution to the ##\Theta## part. I am having some trouble understanding the commonly used plot of these equations that looks something like this:

http://www.physics.umd.edu/courses/Phys402/AnlageSpring09/spherical_harmonics.gif

What am I looking at? Well first of all, what does the ##\Theta## function represent? It represents a variation in the wave function as ##\Theta## changes. Assuming that ##R## and ##\Phi## are constant I'm looking at values of the wave function located on a circle. I seem to not be able to reconcile that notion with these kinds of 3D plots.

Edit: Before anyone points out that the plots I posted are function of two angles, in my class I saw planar plots of solely the ##\Theta## part, which looks like the plots I linked only in a plane. So that wouldn't really lift the confusion.
 
Physics news on Phys.org
  • #2
Coffee_ said:
1. The way we solved this problem was proposing that the wave function has to form of ##\Psi=\Theta\Phi R## where the three latter variables represent the anlge and radius function which are independent. The legendre polynomials were the solution to the ##\Theta## part. I am having some trouble understanding the commonly used plot of these equations that looks something like this:

http://www.physics.umd.edu/courses/Phys402/AnlageSpring09/spherical_harmonics.gif

What am I looking at? Well first of all, what does the ##\Theta## function represent? It represents a variation in the wave function as ##\Theta## changes. Assuming that ##R## and ##\Phi## are constant I'm looking at values of the wave function located on a circle. I seem to not be able to reconcile that notion with these kinds of 3D plots.

The 3-d plots are showing surfaces at some arbitrary "probablility" of the particle. Typically, I think that they are drawn at the 90% level. I.e. 90% of the time the electron would be found within this surface...
 
  • #3
Quantum Defect said:
The 3-d plots are showing surfaces at some arbitrary "probablility" of the particle. Typically, I think that they are drawn at the 90% level. I.e. 90% of the time the electron would be found" within this surface...

Hmm, alright so I opened up Matlab and played around with the equations and I seem to be finding EXACTLY the shapes like in my book when I'm doing the following.

So I take the Legendre polynomials where ''m=0'' and m represents the whatever quantum number. I have an infinite countable set of polynomials right now, depending on the value of l(l+1). Anyway this doesn't really matter. The first few polynomials they look like this:

##\Theta_{1}=1##

##\Theta_{2}=cos(\theta)##

##\Theta_{3}=0.5(3cos^{2}(\theta)-1)##

Now I plot them in MATLAB in polar coordinates where I put ##r=\Theta_{1}## , ##r=\Theta_{2}##, ##r=\Theta_{3}##, and so on...

These exactly the same figures as in my coursenotes. An example in the attachment.

So I'm very confused at what I'm looking at. Here I have a variable ''r'' on the figures, while the ''r'' of the wavefunction is totally independent of the angle.
 

Attachments

  • legendre.png
    legendre.png
    51.9 KB · Views: 594
  • #4
Coffee_ said:
Hmm, alright so I opened up Matlab and played around with the equations and I seem to be finding EXACTLY the shapes like in my book when I'm doing the following.

So I take the Legendre polynomials where ''m=0'' and m represents the whatever quantum number. I have an infinite countable set of polynomials right now, depending on the value of l(l+1). Anyway this doesn't really matter. The first few polynomials they look like this:

##\Theta_{1}=1##

##\Theta_{2}=cos(\theta)##

##\Theta_{3}=0.5(3cos^{2}(\theta)-1)##

Now I plot them in MATLAB in polar coordinates where I put ##r=\Theta_{1}## , ##r=\Theta_{2}##, ##r=\Theta_{3}##, and so on...

These exactly the same figures as in my coursenotes. An example in the attachment.

So I'm very confused at what I'm looking at. Here I have a variable ''r'' on the figures, while the ''r'' of the wavefunction is totally independent of the angle.

For the lowest one, you are looking at what a chemist would call an s orbital. Spherical symmetry. No angular dependence. If you draw a surface at 90% (contianing 90% of the probability) you will get a ball.

For L=1, mL=0 you will get the dumbell shape that chemists say is the p_z orbital shape. p_x and p_y shapes can be obtained from linear combinations of the L=1, mL = +/- 1 wavefunctions.

For L=2, mL=0 you will get the dz^2 orbital -- like a p-orbital with a donut at the waist. Various linear combinations of the others will give you the other d-orbital shapes.
 
  • #5
Quantum Defect said:
For the lowest one, you are looking at what a chemist would call an s orbital. Spherical symmetry. No angular dependence. If you draw a surface at 90% (contianing 90% of the probability) you will get a ball.

For L=1, mL=0 you will get the dumbell shape that chemists say is the p_z orbital shape. p_x and p_y shapes can be obtained from linear combinations of the L=1, mL = +/- 1 wavefunctions.

For L=2, mL=0 you will get the dz^2 orbital -- like a p-orbital with a donut at the waist. Various linear combinations of the others will give you the other d-orbital shapes.

Thanks for taking the time. I probably messed up my wording. I know the shapes and I have seen them in chemisty class and such. The problem is that I'm not sure how to connect the position coordinates as seen on the image to the position coordinates of the wave function input.

Why do we get these shapes by plugging the angle dependence into spherical coordinates. For this we make the radius a function of the angle. The way you explain the first one seems like the image indeed does represent the wave function coordinates.

Basically I am looking for a reasoning to connect the fact that we solve the ##\Theta## function independently and find some polynomials, to plotting a radius in terms of these functions. Nothing in the wave function implies any connection between the radius and the angle.
 

Related to Visualizing legendre polynomials in the hydrogen atom.

1. What are Legendre Polynomials?

Legendre polynomials are a set of mathematical functions used to describe the angular dependence of wave functions in the hydrogen atom. They are solutions to the Legendre differential equation and are important in understanding the shape and orientation of atomic orbitals.

2. How are Legendre Polynomials used in the Hydrogen Atom?

Legendre polynomials are used to describe the angular part of the wave function in the Schrödinger equation for the hydrogen atom. They help determine the probability of finding an electron at a certain angle from the nucleus, and therefore, they play a crucial role in understanding the electronic structure of the atom.

3. What is the significance of visualizing Legendre Polynomials in the Hydrogen Atom?

Visualizing Legendre polynomials in the hydrogen atom allows us to better understand the shape and orientation of the atomic orbitals, which in turn, helps us understand the electronic structure of the atom. It also provides a visual representation of the probability of finding an electron at a certain angle from the nucleus.

4. How are Legendre Polynomials related to the Quantum Numbers in the Hydrogen Atom?

Legendre polynomials are closely related to the quantum numbers used to describe the energy levels and orbitals in the hydrogen atom. The quantum numbers determine the shape, size, and orientation of the atomic orbitals, and the Legendre polynomials help describe the angular part of these orbitals.

5. Can we use Legendre Polynomials to describe other atoms besides Hydrogen?

Yes, Legendre polynomials can be used to describe the angular part of atomic orbitals in other atoms besides hydrogen. However, in more complex atoms, other mathematical functions such as spherical harmonics are also necessary to fully describe the wave function and the electron density distribution.

Similar threads

  • Advanced Physics Homework Help
Replies
1
Views
1K
  • Advanced Physics Homework Help
Replies
3
Views
1K
Replies
14
Views
1K
  • Advanced Physics Homework Help
Replies
5
Views
1K
  • Advanced Physics Homework Help
Replies
2
Views
1K
Replies
2
Views
2K
  • Quantum Physics
Replies
2
Views
1K
  • Advanced Physics Homework Help
Replies
6
Views
2K
  • Advanced Physics Homework Help
Replies
1
Views
2K
  • Advanced Physics Homework Help
Replies
22
Views
9K
Back
Top