التفاصيل البيبلوغرافية
| العنوان: |
Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory |
| المؤلفون: |
Jacopo Fregoni (8350035), Tor S. Haugland (11161184), Silvio Pipolo (1818259), Tommaso Giovannini (1794817), Henrik Koch (841966), Stefano Corni (218351) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Medicine, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, quantum chemical description, quantum states, nanometric volumes, Cluster Theory Plasmonic nanocavities, subnanometric asperity, molecules experience, surface plasmons, electromagnetic field, charge density, extent, polariton, plasmonic nanocavity, electromagnetic fields, Localized Surface Plasmons, nonperturbative method, quantized description |
| الوصف: |
Plasmonic nanocavities enable the confinement of molecules and electromagnetic fields within nanometric volumes. As a consequence, the molecules experience a remarkably strong interaction with the electromagnetic field to such an extent that the quantum states of the system become hybrids between light and matter: polaritons. Here, we present a nonperturbative method to simulate the emerging properties of such polaritons: it combines a high-level quantum chemical description of the molecule with a quantized description of the localized surface plasmons in the nanocavity. We apply the method to molecules of realistic complexity in a typical plasmonic nanocavity, featuring also a subnanometric asperity (picocavity). Our results disclose the effects of the mutual polarization and correlation of plasmons and molecular excitations, disregarded so far. They also quantify to what extent the molecular charge density can be manipulated by nanocavities and stand as benchmarks to guide the development of methods for molecular polaritonics. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/Strong_Coupling_between_Localized_Surface_Plasmons_and_Molecules_by_Coupled_Cluster_Theory/15025625 |
| DOI: |
10.1021/acs.nanolett.1c02162.s001 |
| الاتاحة: |
https://doi.org/10.1021/acs.nanolett.1c02162.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.F5E7E40C |
| قاعدة البيانات: |
BASE |