“Know how to solve every problem that has been solved.” “What I cannot create, I do not understand.” — Richard Feynman

The Coulson-Fischer point is the bond length where the symmetry-broken UHF solution first drops below the RHF solution in energy.

Claims

The Coulson-Fischer point is the bond length where the symmetry-broken UHF solution first drops below the RHF solution in energy.

✓ supported definitional 90% draft quantum-chemistryhartree-focksymmetry-breakingscf

This is where unpaired electrons exhibit lower symmetry and lower energy.

Connections

generalizes cf-wavefunction-leq-lcao-for-neutral-h2

Referenced by

instance-of For neutral H₂, the Coulson-Fischer wavefunction has variational energy ≤ that of closed-shell LCAO (RHF), with strict inequality above the Coulson-Fischer bond length R_CF and equality below.