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

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.

Claims

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.

✓ supported structural 90% draft quantum-chemistryhartree-focklcaovariationalsymmetry-breaking

Connections

instance-of coulson-fischer-point-uhf-below-rhf

Referenced by

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