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 :
| Szerzők: | |
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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 |
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| 100 | 1 | |a Fábri Csaba | |
| 245 | 1 | 0 | |a Born–Oppenheimer approximation in optical cavities |h [elektronikus dokumentum] : |b from success to breakdown / |c Fábri Csaba |
| 260 | |c 2021 | ||
| 300 | |a 1251-1258 | ||
| 490 | 0 | |a CHEMICAL SCIENCE |v 12 No. 4 | |
| 520 | 3 | |a 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. | |
| 650 | 4 | |a Fizikai tudományok | |
| 700 | 0 | 1 | |a Halász Gábor |e aut |
| 700 | 0 | 1 | |a Cederbaum Lorenz S. |e aut |
| 700 | 0 | 1 | |a Vibók Ágnes |e aut |
| 856 | 4 | 0 | |u http://publicatio.bibl.u-szeged.hu/26827/1/31673666.pdf |z Dokumentum-elérés |