For what elements does Born–Oppenheimer approximation fail the most?

In summary, the conversation delved into the Bohr-Oppenheimer (BO) approximation and its application to molecules and individual atoms. The speaker mentioned that for elements with low atomic numbers, their light nuclei can move more and thus have a greater influence on the movement of electrons compared to heavier elements. However, the other person did not understand the question and pointed out that the BO approximation is an oversimplification and is not applicable to all molecules, particularly when crossing electronic states occur.
  • #1
Lotto
217
13
TL;DR Summary
We can consider atomic nucleus fixed, so we suppose it doesn't move. But for what elements is Born–Oppenheimer approximation the least accurate (the nucleus moves a "a lot")?
I would say that for the elements with the lowest atomic numbers, because these elements have their nuclei the lightest and so they can move more and their movement influence electrons more than in some heavier elements, whose nuclei move less. Am I right or not?
 
Physics news on Phys.org
  • #2
I don't understand the question. The BO approximation applies to molecules, not individual atoms, so I don't understand the consideration of elements.

Also, saying that the BO approximation is "nuclei don't move" is an oversimplification (although it is used often in elementary introductions to the subject). It is more that variations of electronic wave functions with respect to nuclear motion are neglected. In many molecules one will find, for example, crossing electronic states where the BO approximation breaks down. See for instance conical intersection.
 
  • Like
Likes dextercioby and vanhees71

Similar threads

  • Quantum Physics
Replies
13
Views
2K
Replies
1
Views
950
  • Atomic and Condensed Matter
Replies
15
Views
2K
  • Atomic and Condensed Matter
Replies
4
Views
2K
  • Quantum Physics
Replies
2
Views
785
  • Biology and Chemistry Homework Help
Replies
1
Views
683
Replies
7
Views
1K
  • High Energy, Nuclear, Particle Physics
Replies
1
Views
2K
  • Atomic and Condensed Matter
Replies
4
Views
2K
  • Introductory Physics Homework Help
Replies
1
Views
784
Back
Top