Article ; Online: Quantum to Classical Cavity Chemistry Electrodynamics.
The journal of physical chemistry letters
2023 Volume 14, Issue 51, Page(s) 11725–11734
Abstract: Polaritonic chemistry has ushered in new avenues for controlling molecular dynamics. However, two key questions remain: (i) Can classical light sources elicit the same effects as certain quantum light sources on molecular systems? (ii) Can semiclassical ... ...
| Abstract | Polaritonic chemistry has ushered in new avenues for controlling molecular dynamics. However, two key questions remain: (i) Can classical light sources elicit the same effects as certain quantum light sources on molecular systems? (ii) Can semiclassical treatments of light-matter interactions capture nontrivial quantum effects observed in molecular dynamics? This work presents a quantum-classical approach addressing issues of realizing cavity chemistry effects without actual cavities. It also highlights the limitations of the standard semiclassical light-matter interaction. It is demonstrated that classical light sources can mimic quantum effects up to the second order of light-matter interaction provided that the mean-field contribution, the symmetrized two-time correlation function, and the linear response function are the same in both situations. Numerical simulations show that the quantum-classical method aligns more closely with exact quantum molecular-only dynamics for quantum light states such as Fock states, superpositions of Fock states, and vacuum squeezed states than does the conventional semiclassical approach. |
|---|---|
| Language | English |
| Publishing date | 2023-12-19 |
| Publishing country | United States |
| Document type | Journal Article |
| ISSN | 1948-7185 |
| ISSN (online) | 1948-7185 |
| DOI | 10.1021/acs.jpclett.3c02870 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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