Home Forums density functional theory the Born-Oppenheimer approximation Regime unfit for Born-Oppenheimer approximation

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    Maarten Carrette
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    The Born-Oppenheimer (B0) approximation considers the motion of the nuclei the be negligible. Therefore when the movement of the nuclei is considrable, for example at high temperatures or when present in a strong magnetic field, the B0 approximation isn’t very appropriate.

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