The relationship of orbital hybridization between quantum mechanics

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Discussion Overview

The discussion revolves around the concept of hybrid orbital formation in the context of quantum mechanics, specifically addressing whether hybrid orbitals are solutions to the Schrödinger equation and the implications of using hybridization in molecular systems.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • Some participants question whether hybrid orbitals are solutions to the Schrödinger equation, suggesting that they might be considered as such in a certain context.
  • One participant notes that any linear combination of solutions to the Schrödinger equation is also a solution, implying a connection between hybridization and the equation.
  • Another participant emphasizes the need to clarify which Schrödinger equation is being referenced, stating that hybrid orbitals are not solutions of the time-independent effective one-particle Schrödinger equation for isolated atoms.
  • It is proposed that hybrid orbitals are used to construct approximate many-particle wavefunctions for atoms in molecules, rather than for isolated atoms.
  • One participant suggests that hybridization may be a method to derive wavefunctions for multiple atoms based on molecular symmetry.
  • Another participant confirms that hybrid orbitals can be viewed as an "ansatz" or trial wavefunction.

Areas of Agreement / Disagreement

Participants express differing views on the nature of hybrid orbitals in relation to the Schrödinger equation, with no consensus reached on whether they are solutions or merely approximations in certain contexts.

Contextual Notes

Participants highlight the complexity of the discussion, noting the dependence on the specific Schrödinger equation referenced and the limitations of using hybrid orbitals for isolated versus molecular systems.

soulhunter
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is the hybrid orbital the solution of Schrödinger equation ?
Or why we have to make orbital hybridization?
 
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You must be very careful here to what Schrödinger equation you are referring. Hybrid orbitals aren't solutions of the time independent effective one particle Schrödinger equation for electrons in an isolated atom. But note that we use them to construct approximate many particle wavefunctions not for isolated atoms but for atoms in a molecule. It turns out that, considering as an example carbon, an atomic wavefunction constructed from one s and three p orbitals -each occupied with one electron- is completely identical to a wavefunction constructed from four singly occupied sp3 orbitals. However, the latter representation is more apt to describe directed bonds in the valence bond formalism.
 
Is this means that the hybrid orbitals is an solution of many atoms Schrödinger equation,like we can not get the exact solution so we, depending on the symmetric of molecular, hybridize the s orbital and p orbitals of isolated atom to form the wave function of many atom solution? Or we just solution the equation by computer and found that solution shows like hybridized orbital?
 
Yes, it is an "ansatz" or trial wavefunction.
 
DrDu said:
Yes, it is an "ansatz" or trial wavefunction.
Thank you Drdu!
 

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