Need help regarding transition dipole moment

In summary, the individual is seeking assistance in obtaining the expression for the transition dipole moment of hydrogen. They are specifically attempting to evaluate the expression for \vec{d}(v) using the free state v and the 1s wave function for hydrogen. After integration by parts, they obtained an incorrect expression and are asking for clarification on where they went wrong. They are also seeking resources for understanding the concept of dipole moment and transition dipole moment.
  • #1
semc
368
5
Hi, I have been trying to get the expression for the transition dipole moment of hydrogen but I am not able to get the expression. Hope someone can help me with that.

I want to evaluate [itex]\vec{d}(v)=<v|\hat{r}|0>[/itex] where v is the free state and 0 is the 1s wave function for hydrogen.

[itex]\vec{d}(v)=\int dτ\frac{\alpha^{3/4}}{\pi^{1/2}}exp(-\sqrt{\alpha}r)(-ih\frac{d}{dp})exp(-ipr)[/itex]

After integration by parts i got [itex]\frac{\alpha^{3/4}}{\pi^{1/2}}\left(\frac{1}{\sqrt{\alpha}+ip}\right)^{2}[/itex]

However, it should be [itex]\vec{d}(v)=i\left(\frac{2^{7/2}}{\pi}\alpha^{5/4}\right)\frac{p}{\left( p^2+\alpha\right)^3}[/itex].

Can someone point out where I went wrong?
 
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  • #2
exp(-ipr)should be [itex]exp(-i{\bf p\cdot r})[/itex],
and [itex]-i\hbar\partial_p[/itex] can just be [itex]{\bf r}[/itex].
Then you need angular integration.
 
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  • #3
Actually I am having trouble doing the integration due to the plane wave part since there is a dot product over there. I have been looking up the meaning of dipole moment and transition dipole moment but can't find much information. Is there any recommended books to read up on this? Thanks!
 
  • #4
[itex]{\bf p\cdot r}=pr\cos(\theta)[/itex]. Then the angular integration is easy.
 
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1. What is a transition dipole moment?

A transition dipole moment is a measure of the strength and direction of the electric dipole moment created during a transition between two energy states in a molecule. It is a vector quantity that describes the change in the distribution of charge during the transition.

2. How is transition dipole moment calculated?

The transition dipole moment is calculated by taking the product of the electric dipole operator and the wavefunction of the excited state and ground state. This can be done using quantum mechanical calculations or through experimental techniques such as spectroscopy.

3. What factors affect the transition dipole moment?

The transition dipole moment is influenced by several factors, including the nature of the electronic states involved in the transition, the geometry of the molecule, and the polarity of the solvent. Additionally, the overlap between the wavefunctions of the excited and ground states also plays a role in determining the transition dipole moment.

4. Why is transition dipole moment important?

The transition dipole moment is an important concept in molecular spectroscopy, as it provides information about the electronic structure and properties of molecules. It is also used in the study of photochemistry and photophysics, as it can help understand the mechanisms of light-induced reactions.

5. How does the transition dipole moment affect the intensity of absorption or emission spectra?

The magnitude of the transition dipole moment directly affects the intensity of absorption or emission spectra. Larger transition dipole moments result in stronger absorption or emission signals, while smaller dipole moments result in weaker signals. This relationship is described by the Franck-Condon principle, which states that the intensity of a spectral band is proportional to the square of the transition dipole moment.

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