Related papers: Exact functionals for correlated electron-photon s…
Chain-mapping techniques combined with the time-dependent density matrix renormalization group are powerful tools for simulating the dynamics of open quantum systems interacting with structured bosonic environments. Most interestingly, they…
The Becke-Johnson exchange potential [J. Chem. Phys. 124, 221101 (2006)] has been successfully used in electronic structure calculations within density-functional theory. However, in its original form the potential may dramatically fail in…
The ability to drive a system with an external input is a fundamental aspect of light-matter interaction. The coherent perfect absorption (CPA) phenomenon extends to the general multibeam interference phenomenology the well known critical…
We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the corresponding density…
Current progress in electro-optical modulation within silicon integrated photonics, driven by the unique capabilities of advanced functional materials, has led to significant improvements in device performance. However, inherent constraints…
Using femtosecond pump-probe spectroscopy, we identify excitation induced dephasing as a major mechanism responsible for the breaking of the strong-coupling between excitons and photons in a semiconductor microcavity. The effects of…
We develop an approximation-free Diagrammatic Monte Carlo technique to study fermionic particles interacting with each other simultaneously through both an attractive Coulomb potential and bosonic excitations of the underlying medium.…
The concept of cross density of states characterizes the intrinsic spatial coherence of complex photonic or plasmonic systems, independently on the illumination conditions. Using this tool and the associated intrinsic coherence length, we…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
A sufficiently damped iteration of the Kohn-Sham equations with the exact functional is proven to always converge to the true ground-state density, regardless of the initial density or the strength of electron correlation, for finite…
Density functional theory is the standard theory for computing the electronic structure of materials, which is based on a functional that maps the electron density to the energy. However, a rigorous form of the functional is not known and…
We study the behavior of exciton polaritons in an optical microcavity with an embedded semiconductor quantum well. We use two-component exciton-photon approach formulated in terms of path integral formalism. In order to describe spatial…
We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier…
The Density Matrix Renormalization Group algorithm is used to characterize the ground states of one-dimensional coupled cavities in the regime of low photon densities. Numerical results for photon and spin excitation densities, one- and…
The accurate prediction of electronic response properties of extended molecular systems has been a challenge for conventional, explicit density functionals. We demonstrate that a self-interaction correction implemented rigorously within…
We study theoretically a fundamental issue in solids: the evolution of the optical spectra of polaron as the electron-phonon coupling increases. By comparing the exact results obtained by diagrammatic Monte Carlo method and the data got…
Several years ago, it was shown that strong coupling between an electronic transition in organic molecules and a resonant photonic structure can modify the electronic landscape of the molecules and affect their chemical behavior. Since…
We generalize the optimized effective potential (OEP) formalism in the quantum electrodynamical density functional theory (QEDFT) to the case of continuous distribution of photon modes, and study its applicability to dissipative dynamics of…
There are different ways to obtain an exact one-electron theory for a many-electron system, and the exact electron factorization (EEF) is one of them. In the EEF, the Schr\"odinger equation for one electron in the environment of other…