[Quantum Chemistry] Generalized wave function in covalent bonding

Thread starter Mayhem
Start date Mar 16, 2022
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Bonding Chemistry Covalent bonding Function generalized Quantum chemistry Wave Wave function

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The discussion centers on the challenge of finding a general expression for the wave function $\psi$ that accurately describes the electronic properties of arbitrary covalent bonds. It is concluded that no simple trigonometric or analytical expression exists for this purpose. The closest approximation mentioned is the molecular orbitals of H2+, which still lack a straightforward analytical form. The complexity of covalent bonding and the limitations of current models highlight the difficulties in representing these electronic properties with a universal equation.

Mar 16, 2022

Mayhem

Is there a general expression for the wave function $\psi$, which describes the electronic properties of an arbitrary covalent bond? For example is it equal to some sort of trigonometric expression?

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Mar 16, 2022

DrClaude

Mentor

No. I guess the closest you could get are the molecular orbitals of H₂⁺, but even they don't have a simple analytical expression.

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