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

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    bryanpiguave
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    There are several situations in which the Born-Oppenheimer Approximation can lead to not very precise results:
    At high temperatures, the kinetic energy of the nuclei should be considered. Additionally, at high pressure, the interactions between particles are higher. Therefore, nuclei interactions couldn’t be treated as constant.

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