تقرير
Polaritonic Coupled-Cluster Theory
| العنوان: | Polaritonic Coupled-Cluster Theory |
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| المؤلفون: | Mordovina, Uliana, Bungey, Callum, Appel, Heiko, Knowles, Peter J., Rubio, Angel, Manby, Frederick R. |
| المصدر: | Phys. Rev. Research 2, 023262 (2020) |
| سنة النشر: | 2019 |
| المجموعة: | Physics (Other) Quantum Physics |
| مصطلحات موضوعية: | Physics - Chemical Physics, Quantum Physics |
| الوصف: | We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of application to all types of fermion-boson coupled systems. We show benchmark results for model molecular Hamiltonians coupled to cavity photons. By comparing to full configuration interaction results for various ground-state properties and optical spectra, we demonstrate that our method captures all key features present in the exact reference, including Rabi splittings and multi-photon processes. Further, a path on how to incorporate our bosonic extension of coupled-cluster theory into existing quantum chemistry programs is given. Comment: 9 pages, 6 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevResearch.2.023262 |
| URL الوصول: | http://arxiv.org/abs/1909.02401 |
| رقم الأكسشن: | edsarx.1909.02401 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevResearch.2.023262 |
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