Prove the wave function for dxy orbital

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SUMMARY

The discussion focuses on proving the wave function for the dxy orbital, specifically the angular part given by (√(15/∏)/4)sin^2(θ)sin(2φ). The conversion from Cartesian to spherical coordinates is essential, where xy is represented as (r/2)sin^2(θ)sin(2φ). The normalization process is highlighted, revealing challenges with divergence in integrals, particularly ∫r^3 and ∫sin(2φ), indicating that normalization is crucial for validating the wave function's correspondence to the dxy orbital.

PREREQUISITES
  • Understanding of spherical coordinates and their conversion from Cartesian coordinates.
  • Familiarity with wave functions in quantum mechanics, specifically the dxy orbital.
  • Knowledge of normalization techniques in quantum mechanics.
  • Proficiency in trigonometric identities, particularly sin(2x) = 2sin(x)cos(x).
NEXT STEPS
  • Study the normalization of wave functions in quantum mechanics.
  • Learn about the properties and characteristics of d-orbitals in quantum chemistry.
  • Explore the derivation of spherical harmonics and their role in wave functions.
  • Investigate the implications of divergence in integrals related to quantum states.
USEFUL FOR

Students and educators in quantum mechanics, particularly those focusing on atomic orbitals, wave functions, and normalization techniques.

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Homework Statement


"The angular part of the wave function for the dxy orbital is (√(15/∏)/4)sin^2(θ)sin(2[itex]\phi[/itex]). Show that this expression corresponds to the dxy orbital"


Homework Equations



conversion of Cartesian to spherical coordinates:
r=√(x^2+y^2+z^2)
cosθ=z/r
tan([itex]\phi[/itex])=y/x

trig identity:
sin(2x)=2sinxcosx

normalization:
N^2∫ψ*ψdτ

dτ=r^2sinθdrdθd[itex]\phi[/itex]

0≤r≤∞
0≤θ≤∏
0≤[itex]\phi[/itex]≤2∏


The Attempt at a Solution




in Cartesian coordinates dxy is represented as simply xy. I converted xy to spherical coordinates and manipulated the equation the relevant equations to get xy=(r/2)sin^2(θ)sin(2[itex]\phi[/itex]) as follows:

xy=rsincos[itex]\phi[/itex]rsinθsin[itex]\phi[/itex]
xy=rsin^2(θ)cos[itex]\phi[/itex]sin[itex]\phi[/itex]
xy=rsin^2(θ)sin(2[itex]\phi[/itex])/2

Then I tried to normalize the equation, but I ended up with

∫r^3 from 0 to ∞, which goes to ∞/does not converge

and ∫sin2[itex]\phi[/itex] which equal zero.
 
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I'm not sure why you think you need to normalize the wave function to show it corresponds to the dxy orbital.

In any case, the total wave function is of the form ##\psi(\vec{r}) = R_{nl}(r)Y_l^m(\theta,\phi)##. Normalization requires that
$$\int \psi^*(\vec{r})\psi(\vec{r})\,d^3\vec{r} = \int R^*_{nl}(r)R_{nl}(r)\,dr \int {Y_l^m}^*(\theta,\phi)Y_l^m(\theta,\phi)\,d\Omega = 1.$$ Does seeing this clear up your two questions?
 

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