Related papers: Quantum-electrodynamical time-dependent density fu…
Recent years have seen vast improvements in the ability of rigorous quantum-mechanical methods to treat systems of interest to molecular biology. In this review article, we survey common computational methods used to study such large,…
A density functional theory for colloidal dynamics is presented which includes hydrodynamic interactions between the colloidal particles. The theory is applied to the dynamics of colloidal particles in an optical trap which switches…
In principle, we should not need the time-dependent extension of density-functional theory (TDDFT) for excitations, and in particular not for Molecular Dynamics (MD) studies: the theorem by Hohenberg and Kohn teaches us that for any…
We consider the quantum field theory for a scalar model of the electromagnetic field interacting with a system of two-level atoms. In this setting, we show that it is possible to uniquely determine the density of atoms from measurements of…
Cavity quantum electrodynamics describes the fundamental interactions between light and matter, and how they can be controlled by shaping the local environment. For example, optical microcavities allow high-efficiency detection and…
In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet…
We introduce an effective modes formalism to describe how the quasi-continuum of photonic modes in an optical cavity effectively behaves in the strong light-matter coupling regime of cavity quantum electrodynamics. By expressing these…
Time-varying optical materials have attracted recent interest for their potential to enable frequency conversion, nonreciprocal physics, photonic time-crystals, and more. However, the description of time-varying materials has been primarily…
Room temperature cavity quantum electrodynamics with molecular materials in optical cavities offers exciting prospects for controlling electronic, nuclear and photonic degrees of freedom for applications in physics, chemistry and materials…
Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…
Confining ultracold gases in cavities creates a paradigm of quantum trapping potentials. We show that this allows to bridge models with global collective and short-range interactions as novel quantum phases possess properties of both. Some…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
We study quantum dynamics of many-qubit systems strongly coupled to a quantized electromagnetic cavity mode, in the presence of decoherence and dissipation for both fermions and cavity photons. The analytic solutions are derived for a broad…
The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme conditions (e.g., warm dense matter) are considered. The first…
The knowledge and thus characterization of the temporal modes of quantum light fields is important in many areas of quantum physics ranging from experimental setup diagnosis to fundamental-physics investigations. Recent results showed how…
We investigate quantum correlations in time in different approaches. We assume that temporal correlations should be treated in an even-handed manner with spatial correlations. We compare the pseudo-density matrix formalism with several…
General quasi-probabilities are introduced to visualize time-dependent quantum correlations of light in phase space. They are based on the generalization of the Glauber-Sudarshan P function to a time-dependent P functional [W. Vogel, Phys.…
We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in…
The last decade has witnessed a rapid advancement in laser technology, enabling the direct monitoring and control of electronic motion on its natural attosecond to sub-femtosecond timescales. Ultrafast processes are conventionally studied…
The equations of time-dependent density functional theory are derived, via the expression for the quantum weak value, from ring polymer quantum theory using a symmetry between time and imaginary time. The imaginary time path integral…