Home Forums density functional theory the Born-Oppenheimer approximation Born-Oppenheimer approximation

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    Klaas Luyckx
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    Since the Born-Oppenheimer approximation assumes the nuclei don’t move, we can’t use this approximation in cases where the movement of the nuclei is important. E.g., when we want to study phenomena where the motion of the nuclei is important or when we work with higher temperatures where the movement of the nuclei isn’t negligible.

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