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The Born-Oppenheimer approximation, introduced in 1927, simplifies the Schrödinger equation for molecular systems by treating nuclei as fixed, leading to the concept of potential energy surfaces (PES) that dictate molecular behavior. While it is foundational in quantum chemistry and density functional theory, the approximation has limitations, particularly in non-adiabatic regions where electronic transitions occur. Ongoing research aims to address these challenges and improve the accuracy of molecular dyna

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hemoteer

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