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The time‐independent Schrödinger equation for the HD+ molecule is solved beyond the Born–Oppenheimer (B‐O) approximation. In the adiabatic representation, the wavefunction of the ground vibrational eigenstate is found to contain two parts: One is on the ground
(
) state which is dominant, and the other is on the repulsive excited
(
) state in the range from R = 0.0 to R = 5.0 Bohr...
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