Singly Ionized Li, Perturbation and Integral Help

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SUMMARY

The discussion focuses on calculating the ground state energy of singly ionized lithium (Li+) using first-order perturbation theory. The Hamiltonian for the unperturbed system is defined as two Hydrogenic Hamiltonians with modified nucleonic charges. The perturbation is given by the potential V = \frac{e^{2}}{4 \pi \epsilon_{0}} \frac{1}{|r_{1}-r_{2}|}. The integration required to find the first-order correction involves a six-fold integral over the coordinates of the two electrons, which is essential for determining the energy correction.

PREREQUISITES
  • Understanding of quantum mechanics, particularly perturbation theory.
  • Familiarity with the Schrödinger equation and Hamiltonians.
  • Knowledge of the Bohr model and atomic structure.
  • Ability to perform multi-variable integrals, specifically six-fold integrals.
NEXT STEPS
  • Study the principles of first-order perturbation theory in quantum mechanics.
  • Learn how to set up and evaluate multi-variable integrals, focusing on six-fold integrals.
  • Explore the properties of the Hydrogenic Hamiltonian and its applications in atomic physics.
  • Review the derivation of the ground state wave function for two-electron systems.
USEFUL FOR

Students and researchers in quantum mechanics, particularly those studying atomic physics and perturbation theory, will benefit from this discussion.

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 Schrödinger 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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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 Schrödinger 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]<br /> which here means an integral over the six coordinates.[/itex]
 

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