Singly Ionized Li, Perturbation and Integral Help

In summary, to find an approximate value for the ground state energy of a two electron atom, we start with the energy of two noninteracting electrons in 1s states and calculate the first order correction due to the perturbation V. This involves recognizing the Hamiltonian of the unperturbed system and considering the perturbation, and then using the Schrodinger equation and integrating over the six coordinates to find the ground state energy.
  • #1
logic smogic
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Homework Statement



An approximate value for the ground state energy of a two electron atom can be found by starting with the energy of two noninteracting electrons in 1s states and calculating the first order correction due to the perturbation [itex]V= \frac{ {e}^{2} }{ 4 \pi {\epsilon}_{0} } \frac{ 1 }{ \left |{r}_{1}-{r}_{2} \right |}[/itex]. Perform the necessary integration and find an estimate for the ground state energy of singly ionized Li.2. Homework Equations and attempt at solution

First, I recognize the Hamiltonian of the unperturbed system as that of two Hydrogenic Hamiltonians with modified nucleonic charges:
[itex] {H}^{0} = \left[ - \frac{ {\hbar}^{2} }{ 2m } { {\nabla}_{1} }^{2} - \frac{1}{4 \pi {\epsilon}_{0}} \frac{3{e}^{2}}{{r}_{1}} \right ] + \left[ - \frac{ {\hbar}^{2} }{2m} {{\nabla}_{2}}^{2} - \frac{1}{4 \pi {\epsilon}_{0}} \frac{3{e}^{2}}{{r}_{2}} \right ][/itex]

And for the perturbation, we consider:
[itex]H= {H}^{0} + \frac{ {e}^{2} }{ 4 \pi {\epsilon}_{0} } \frac{ 1 }{ \left |{r}_{1}-{r}_{2} \right |}[/itex]

The Schrodinger Equation for [itex]{H}^{0}[/itex] separates:
[itex] \psi ({r}_{1},{r}_{2}) = {\psi}_{nlm}({r}_{1}){\psi}_{n'l'm'}({r}_{2})[/itex]

The ground state, of course (propagating the nucleonic charge through) will be:
[itex] {\psi}_{0} = \frac{27}{ \pi {a}^{3} } {e}^{-3({r}_{1} + {r}_{2})/a} [/itex] where a is the Bohr radius.

Question: I'm a little hazy on perturbations, and I'm not sure how to go about finishing this problem, and where *exactly* the integration comes in. Could someone just lay out the steps I need to take? (and of course, I'll go through with the actual calculations, just seeing how the structure would be very enlightening)

My best guess is to integrate [itex] \int_{- \infty }^{ \infty } V dr [/itex], but a friend mentioned that it should be a six-fold integral. Any ideas? Thanks!
 
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  • #2
logic smogic said:

Homework Statement



An approximate value for the ground state energy of a two electron atom can be found by starting with the energy of two noninteracting electrons in 1s states and calculating the first order correction due to the perturbation [itex]V= \frac{ {e}^{2} }{ 4 \pi {\epsilon}_{0} } \frac{ 1 }{ \left |{r}_{1}-{r}_{2} \right |}[/itex]. Perform the necessary integration and find an estimate for the ground state energy of singly ionized Li.


2. Homework Equations and attempt at solution

First, I recognize the Hamiltonian of the unperturbed system as that of two Hydrogenic Hamiltonians with modified nucleonic charges:
[itex] {H}^{0} = \left[ - \frac{ {\hbar}^{2} }{ 2m } { {\nabla}_{1} }^{2} - \frac{1}{4 \pi {\epsilon}_{0}} \frac{3{e}^{2}}{{r}_{1}} \right ] + \left[ - \frac{ {\hbar}^{2} }{2m} {{\nabla}_{2}}^{2} - \frac{1}{4 \pi {\epsilon}_{0}} \frac{3{e}^{2}}{{r}_{2}} \right ][/itex]

And for the perturbation, we consider:
[itex]H= {H}^{0} + \frac{ {e}^{2} }{ 4 \pi {\epsilon}_{0} } \frac{ 1 }{ \left |{r}_{1}-{r}_{2} \right |}[/itex]

The Schrodinger Equation for [itex]{H}^{0}[/itex] separates:
[itex] \psi ({r}_{1},{r}_{2}) = {\psi}_{nlm}({r}_{1}){\psi}_{n'l'm'}({r}_{2})[/itex]

The ground state, of course (propagating the nucleonic charge through) will be:
[itex] {\psi}_{0} = \frac{27}{ \pi {a}^{3} } {e}^{-3({r}_{1} + {r}_{2})/a} [/itex] where a is the Bohr radius.

Question: I'm a little hazy on perturbations, and I'm not sure how to go about finishing this problem, and where *exactly* the integration comes in. Could someone just lay out the steps I need to take? (and of course, I'll go through with the actual calculations, just seeing how the structure would be very enlightening)

My best guess is to integrate [itex] \int_{- \infty }^{ \infty } V dr [/itex], but a friend mentioned that it should be a six-fold integral. Any ideas? Thanks!


The equation for first order perturbation theory (for non-degenerate states) is simply
[itex] \int \psi_0^* H_{pert} \psi_0 [/tex]
which here means an integral over the six coordinates.
 

Related to Singly Ionized Li, Perturbation and Integral Help

1. What is singly ionized Li?

Singly ionized Li refers to lithium atoms that have lost one electron, resulting in a positive charge of +1. This process is also known as ionization or the formation of a singly charged ion.

2. What is perturbation in the context of physics?

In physics, perturbation refers to a small change or disturbance in a system that can affect the behavior or properties of the system. It is commonly used to study the effects of external forces on a physical system.

3. How is perturbation theory used in quantum mechanics?

In quantum mechanics, perturbation theory is a mathematical tool used to approximate the behavior of a quantum system when it is subjected to a small perturbation or disturbance. It allows for the calculation of the energy levels and properties of a system that cannot be solved exactly.

4. What is integral help in the context of physics?

Integral help refers to the use of integration techniques in physics to solve complex problems or equations. Integration is a mathematical process that involves finding the area under a curve and is commonly used in physics to calculate quantities such as work, energy, and force.

5. How is integral help used in the study of quantum mechanics?

In quantum mechanics, integral help is used to solve complex equations and calculate important quantities such as wave functions, energy levels, and transition probabilities. Integration techniques, such as the Fourier transform, are essential tools for analyzing quantum systems and understanding their behavior.

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