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. 2022 May 16;380(2223):20200375.
doi: 10.1098/rsta.2020.0375. Epub 2022 Mar 28.

Chemistry without the Born-Oppenheimer approximation

Federica Agostini  1 , Basile F E Curchod  2
Affiliations

Chemistry without the Born-Oppenheimer approximation

Federica Agostini et al. Philos Trans A Math Phys Eng Sci. .
No abstract available

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Figures

Figure 1.
Figure 1.
Illustration of the conceptual outcomes triggered by Born and Oppenheimer in their seminal work. (a) The total energy of a molecule can be decomposed into the sum of an electronic (black), vibrational (blue) and rotational (red) energy. (b) The eigenvalues of the electronic Hamiltonian—the electronic energies—are functions of nuclear coordinates and lead to the concept of potential energy surfaces. The Born–Oppenheimer approximation permits the consideration of only one of the potential energy surfaces under certain conditions. (Online version in colour.)
See this image and copyright information in PMC

References

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