Radial Distribution Function

In summary, my professor neglects the ∂r in his P expression, which leads to a different answer for the most likely radius. He needs to integrate ψ*ψ dτ over a shell with radius r and thickness dr to get the most likely radius. Differentiating that wrt r gives the mean radius.
  • #1
crador
94
11

Homework Statement


Hey Guys!

Here's my problem: ψ=2(Z/a)^3/2*e^ρ/2 for the 1s orbital of a hydrogen atom. Write down the radial distribution function expression (P) of a 1s electron and determine the most likely radius.

ρ=2Zr/a
Z nuclear charge
r radius
a Bohr's radius

Homework Equations



P=(ψ*)(ψ)∂τ= 4(Z/a)^3*e^ρ*4π*r^2*∂r

The Attempt at a Solution



We need to calculate ∂P/∂r

My professor solves r=a/Z which is all well and fine, but in an intermediate step he goes from P=(stuff)*e^(-2Zr/a)*r^2*∂r to ∂P/∂r=∂/∂r((stuff)*e^(-2Zr/a)*r^2)

To me it seems that he has neglected a ∂r and it should read ∂P/∂r=∂/∂r((stuff)*e^(-2Zr/a)*r^2*∂r), in which case I am not sure how to calculate something like this.

What would help me solve this is to know if I am making some stupid mistake, or if there is some rule in the form x=y∂r ---> ∂x=∂(y∂r)=? (my guess would be ∂x=∂y∂r+y(∂^2)r, but this doesn't agree with my professor's tricks, and I haven't taken a PDE class to know my way around)

Thanks guys!
 
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  • #2
Nevermind, realized my professor's mistake was P=4(Z/a)^3*e^ρ*4π*r^2 and not P=(ψ*)(ψ)∂τ (i.e. P=(ψ*)(ψ)∂τ/dr)
 
  • #3
Note that P is a probability density function! i.e. ##P(r)\ dr## is the probability to find something between ##r## and ##r+dr##.

In other words, the ∂r should not be in your P expression. (there should also be a minus sign in the exponent).

And you don't want ∂P/∂r (it is negative definite).

If you want to calculate the most likely radius, that means integrating ψ*ψ dτ over a shell with radius r and thickness dr to get a radial probability density distribution. Differentiate that wrt r to find the most likely r.

(This works if your ψ is normalized and also if it is not)

Note that for the mean radius, you need the expectation value for ##|\vec r|##. that means integrating ψ* r ψ dτ and gives a different answer!
(This works if your ψ is normalized and if it is not, divide by ∫ψ*ψ dτ )

[edit] crossed your second post -- took me a while to type this together!
 

What is a Radial Distribution Function?

A Radial Distribution Function (RDF) is a mathematical measure used to describe the spatial distribution of particles in a system. It provides information about the probability of finding a particle at a particular distance from another particle.

How is a Radial Distribution Function calculated?

The RDF is calculated by dividing the number of particles found at a specific distance by the total number of particles in the system, and then normalizing this value by the volume of the system and the average density of particles.

What is the significance of the Radial Distribution Function in scientific research?

The RDF is an important tool in studying the structure and dynamics of a system. It can provide insights into the physical interactions between particles and can be used to validate theoretical models and simulations.

What factors can affect the shape of a Radial Distribution Function?

The shape of the RDF can be influenced by various factors such as the size, shape, and composition of the particles, as well as the temperature and pressure of the system. External forces, such as electric or magnetic fields, can also impact the RDF.

How can the Radial Distribution Function be used in practical applications?

The RDF has applications in a variety of fields such as material science, chemistry, and biology. It can be used to study the arrangement of molecules in a liquid or solid, to understand the properties of colloidal suspensions, and to investigate the structure of biological systems like proteins and DNA.

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