Related papers: Born-Oppenheimer approximation in optical cavities…
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate that if interactions of cavity photon modes with both nuclear…
We develop a mixed quantum-classical framework, dubbed the Moving Born-Oppenheimer Approximation (MBOA), to describe the dynamics of slow degrees of freedom (DOFs) coupled to fast ones. As in the Born-Oppenheimer Approximation (BOA), the…
Chemical and photochemical reactivity, as well as supramolecular organization and several other molecular properties, can be modified by strong interactions between light and matter. Theoretical studies of these phenomena require the…
We explore the quantum dynamics of photoassociation of Bose-Einstein condensed atoms into molecules using an optical cavity field. Inside of an optical resonator, photoassociation of quantum degenerate atoms involves the interaction of…
In most theoretical descriptions of collective strong coupling of organic molecules to a cavity mode, the molecules are modeled as simple two-level systems. This picture fails to describe the rich structure provided by their internal…
We study the photo-association of Bose-Einstein condensed atoms into molecules using an optical cavity field. The driven cavity field introduces a new dynamical degree of freedom into the photoassociation process, whose role in determining…
Experiments have demonstrated that vibrational strong coupling between molecular vibrations and light modes can significantly change molecular properties, such as ground-state reactivity. Theoretical studies towards the origin of this…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
In this paper, we have investigated theoretically the influence of atomic collisions on the behaviour of a one-dimensional Bose-Einstein condensate inside a driven optical cavity. We develop the discrete-mode approximation for the…
Nick Huggett, James Ladyman, and Karim Thebault (HLT) have presented a comprehensive article examining the Born-Oppenheimer Approximation (BOA). Their central objective is to challenge our position on the matter-namely, that the BOA…
We theoretically study a cavity filled with atoms, which provides the optical-mechanical interaction between the modified cavity photonic field and a movable mirror at one end. We show that the cavity field ``dresses'' these atoms,…
In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter-photon problems.…
Ultracold atoms coupled to optical cavities offer a powerful platform for studying strongly correlated many-body physics. Here, we propose an experimental scheme for creating biatomic molecules via cavity-enhanced photoassociation from an…
In this work, we illustrate the recently introduced concept of the cavity Born-Oppenheimer approximation for correlated electron-nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic and…
Experimental studies indicate that optical cavities can affect chemical reactions, through either vibrational or electronic strong coupling and the quantized cavity modes. However, the current understanding of the interplay between…
It is shown that the adiabatic Born-Oppenheimer expansion does not satisfy the necessary condition for the applicability of perturbation theory. A simple example of an exact solution of a problem that can not be obtained from the…
Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of…
A generalized approach of the Born-Oppenheimer approximation is developed to analytically deal with the influence exercised by the spatial motion of atom's mass-center on a two-level atom in an optical ring cavity with a quantized…
Bayesian optimization (BO) is a principled approach to molecular design tasks. In this paper we explain three pitfalls of BO which can cause poor empirical performance: an incorrect prior width, over-smoothing, and inadequate acquisition…
We develop a quantum optical formalism to treat a two-dimensional array of atoms placed in an optical cavity. Importantly, and in contrast to typical treatments, we account for cooperative dipole-dipole effects mediated by the interaction…