In the context of quantum chemistry, explain the basis of non-adiabatic coupling between electronic states, and discuss its implications for the Born-Oppenheimer approximation. How does non-adiabatic coupling affect the dynamics of molecules undergoing a chemical reaction, and what computational methods can be employed to account for these effects?

Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
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Question: In the context of quantum chemistry, explain the basis of non-adiabatic coupling between electronic states, and discuss its implications for the Born-Oppenheimer approximation. How does non-adiabatic coupling affect the dynamics of molecules undergoing a chemical reaction, and what computational methods can be employed to account for these effects?

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