Zobrazeno 1 - 10
of 126
pro vyhledávání: '"Mandal, Arkajit"'
In this work we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations beyond the long-wavelength limit. We introduce a conceptually simple d
Externí odkaz:
http://arxiv.org/abs/2409.07992
In this paper we develop quantum dynamical methods capable of treating the dynamics of chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) limit at finite temperatures and in the presence of a dissipative solve
Externí odkaz:
http://arxiv.org/abs/2403.03951
Publikováno v:
J. Chem. Theory Comput. (2024)
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with $n = 2$ and
Externí odkaz:
http://arxiv.org/abs/2310.13084
We develop a microscopic theory for the multimode polariton dispersion in materials coupled to cavity radiation modes. Starting from a microscopic light-matter Hamiltonian, we devise a general strategy for obtaining simple matrix models of polariton
Externí odkaz:
http://arxiv.org/abs/2303.10815
We employ an exact quantum mechanical simulation technique to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling to either
Externí odkaz:
http://arxiv.org/abs/2210.05550
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states of the mole
Externí odkaz:
http://arxiv.org/abs/2209.10409
Publikováno v:
Nanophotonics, Vol 13, Iss 14, Pp 2617-2633 (2024)
In this paper, we develop quantum dynamical methods capable of treating the dynamics of chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) limit at finite temperatures and in the presence of a dissipative solv
Externí odkaz:
https://doaj.org/article/621143487c96466f92c9e67b2f6f508f
Recent experiments have suggested that ground state chemical kinetics can be suppressed or enhanced by coupling the vibrational degrees of freedom of a molecular system with a radiation mode inside an optical cavity. Experiments show that the chemica
Externí odkaz:
http://arxiv.org/abs/2205.05142
Autor:
Xu, Ding, Mandal, Arkajit, Baxter, James M., Cheng, Shan-Wen, Lee, Inki, Su, Haowen, Liu, Song, Reichman, David R., Delor, Milan
Semiconductor excitations can hybridize with cavity photons to form exciton-polaritons (EPs) with remarkable properties, including light-like energy flow combined with matter-like interactions. To fully harness these properties, EPs must retain balli
Externí odkaz:
http://arxiv.org/abs/2205.01176
We theoretically demonstrate that chemical reaction rate constant can be significantly suppressed by coupling molecular vibrations with an optical cavity, exhibiting both the collective coupling effect and the cavity-frequency modification of the rat
Externí odkaz:
http://arxiv.org/abs/2107.04156