Hellmann-Feynman ·
Forces from a Fixed Wavefunction
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.com · frozen electron cloud · pure Coulomb force · dE/dλ = ⟨ψ|∂H/∂λ|ψ⟩
Net force
0 eV/Å
Bond R
0.74 Å
state
—
Nuclei (protons, +Z)
Electron density n(r)
Coulomb force on nucleus
Energy curve E(R)
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.com · The Hellmann-Feynman Theorem