Solving Hydrogen Molecule Basis Functions

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    Hydrogen Molecule
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Homework Help Overview

The discussion revolves around formulating basis functions for a hydrogen molecule considering the indistinguishable electrons and their possible states. The subject area includes quantum mechanics, specifically the treatment of electron spins and the implications of the Pauli exclusion principle.

Discussion Character

  • Conceptual clarification, Assumption checking

Approaches and Questions Raised

  • The original poster attempts to list the basis functions based on the spin states of the electrons but questions the completeness of their solution. Some participants suggest considering additional pairings beyond the initial assumptions of A and B states.

Discussion Status

Participants are exploring the implications of the Pauli exclusion principle and the nature of the states available for the electrons. There is an acknowledgment of differing interpretations regarding the allowed configurations of the electrons in the hydrogen molecule.

Contextual Notes

There is a discussion about the assumption that each atom can only have one electron state, which is not explicitly stated in the problem. This has led to varying interpretations of how to formulate the basis functions.

rasko
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A molecule of hydrogen. We assume that the only possible states of
its two electrons (indistinguishable) are |A\uparrow\rangle,<br /> |A\downarrow\rangle, |B\uparrow\rangle and |B\downarrow\rangle
(A=1s-orbital at atom A, B=1s-orbital at atom B).
Formulate the 6 basis functions using the four possible single
particle states above. (Don't forget the Pauli-principle!)


Here is my solution:

Total spin S=1 or 0.
|1,1\rangle=|A\uparrow\rangle|B\uparrow\rangle,
|1,0\rangle=\frac{1}{\sqrt{2}}(|A\uparrow\rangle|B\downarrow\rangle+|A\downarrow\rangle|B\uparrow\rangle),
|1,-1\rangle=|A\downarrow\rangle|B\downarrow\rangle,
|0,0\rangle=\frac{1}{\sqrt{2}}(|A\uparrow\rangle|B\downarrow\rangle-|A\downarrow\rangle|B\uparrow\rangle).

Are they basis functions? There should be 6 but I got only 4.
 
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You've written down spin triplet and spin singlet states, and those would be all you had if your single particle states were \left|\uparrow\right&gt; and \left|\downarrow\right&gt;, but your states aren't labelled by just the spin - you have labels A and B too. However, all of the states you have written are pairs A and B. What about AA or BB pairs?
 
Hi, Mute. I think there should be no AA or BB pairs. Because at the same time A or B has only one state.
 
Why do you think that? It's not given anywhere in the problem statement that each atom can only have one electron.

Remember that the Pauli exclusion principle only rules out two indist. particles in the *exact* same state...
 
2Tesla and Mute, thanks. I understand now.

|0,0>=|A up>|A down>
|0,0>=|B up>|B down>

Thanks u for ur tips.
 

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