Born–Oppenheimer approximation in optical cavities from success to breakdown /
The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation (BOA) may remedy the situation. It is demonstrated that cont...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2021
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| Sorozat: | CHEMICAL SCIENCE
12 No. 4 |
| Tárgyszavak: | |
| doi: | 10.1039/D0SC05164K |
| mtmt: | 31673666 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/26827 |
| Tartalmi kivonat: | The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation (BOA) may remedy the situation. It is demonstrated that contrary to expectation, BOA may even fail in a one-dimensional model and is generally expected to fail in two- or more-dimensional models due to the appearance of conical intersections induced by the cavity. |
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| Terjedelem/Fizikai jellemzők: | 1251-1258 |
| ISSN: | 2041-6520 |