Born-Oppenheimer Potential Energy Surface

The Born-Oppenheimer approximation separates nuclear and electronic motion: electrons adjust instantly to nuclear positions, creating a potential energy surface V(R). For a diatomic molecule, a Morse potential V(R) = D_e(1−e^{−α(R−R_e)})² models the anharmonic well. Vibrational energy levels are quantized: E_n = ℏω(n+½) − anharmonic corrections.

Molecule Parameters

3.5 eV
1.50 Å
1.4 Å⁻¹
1.0 amu
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