Undergrad Chemical Bonding - Wave function

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SUMMARY

The discussion centers on the wavefunction of sodium chloride (NaCl) and its potential entanglement properties. It is established that NaCl does possess a wavefunction, but the entanglement between sodium and chlorine electrons is not significant due to their treatment as independent charged spheres. The concept of F-center lattices is introduced, highlighting that while entanglement of F-centers may be more manageable, practical applications remain uncertain. The conversation references the Born-Haber cycle and the decomposition of the wavefunction into separate electron states.

PREREQUISITES
  • Understanding of quantum mechanics and wavefunctions
  • Familiarity with the Born-Haber cycle for ionic compounds
  • Knowledge of multielectron systems and electron entanglement
  • Basic concepts of crystal defects, specifically F-centers
NEXT STEPS
  • Research the Born-Haber cycle for NaCl in detail
  • Explore the properties of wavefunctions in multielectron systems
  • Investigate the role of F-centers in solid-state physics
  • Learn about entanglement in quantum systems, particularly in relation to defects
USEFUL FOR

Physicists, chemists, and materials scientists interested in quantum mechanics, ionic bonding, and the behavior of defects in crystalline structures.

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Any context for this question ? Did you google 'Born-Haber cycle for NaCl' ?

This kind of bonding is bluntly described by simply taking the outer electron out of the Na and propping it into the Cl

What would be entangled ?
 
Not as far as I know. We treat the ions as independent charged spheres.
You use the term 'entangled' -- what, precisely, do you mean with that ?
 
Nusc said:
Does NaCl have a wavefunction?
Yes.
Nusc said:
If so, is it entangled?
The electrons in a multielectron system like an atom, molecule, or crystal are (almost?) always entangled, but not really in any way that's useful for us. A more interesting question might be if you can decompose the wavefunction into "Na electrons" and "Cl electrons:"
$$|\Psi\rangle_{NaCl} = |\psi \rangle_{Na^+}\otimes |\psi\rangle_{Cl^-}$$
That is, are the "Na electrons" entangled with the "Cl electrons." I don't know. Probably not very, given that the simple electrostatic description that @BvU gave is a very good approximation.
Nusc said:
F-center lattice?
An F-center is a defect in a lattice. In NaCl, it would arise as a Cl- vacancy which is filled by an electron. It would probably be easier to control the entanglement of two F-centers than anything else in the NaCl lattice, but a quick google search didn't bring anything up for me. (I'm imagining entangling the spins of the F-centers like you would the spins of NV centers in diamonds.) There may be a reason why this isn't feasible in practice.
 

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