Related papers: Solid-state optical absorption from optimally-tune…
As part of the effort to make use of squeezed states of light for detection of sub-shot-noise optical signals, we study the balanced heterodyne scheme, for which the corresponding spectral density of the photocurrent fluctuations produced…
Linear optical circuits of growing complexity are playing an increasing role in emerging photonic quantum technologies. Individual photonic devices are typically described by a unitary matrix containing amplitude and phase information, the…
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors has been a persistent challenge for density functional theory (DFT) based approaches. Addressing this issue, we demonstrate that very accurate…
Accurate predictions of charge excitation energies of molecules in the disordered condensed phase are central to the chemical reactivity, stability, and optoelectronic properties of molecules and critically depend on the specific…
For the orthorhombic intermetallic semiconductor Al$_2$Ru, the bandstructure, valence charge density, zone center optical phonon frequencies, and Born effective charge and electronic dielectric tensors are calculated using variational…
A newly synthesized layered material C2N was investigated based on many- body perturbation theory using GW plus Bethe-Salpeter equation approach. The electronic band gap was determined to be ranging from 3.75 to 1.89 eV from monolayer to…
Raman heterodyne spectroscopy is a powerful tool for characterizing the energy and dynamics of spins. The technique uses an optical pump to transfer coherence from a spin transition to an optical transition where the coherent emission is…
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn-Sham density functional theory. The aims of this work are two-fold. First, we explore the properties of Kohn-Sham density functional theory…
Complex field imaging, which captures both the amplitude and phase information of input optical fields or objects, can offer rich structural insights into samples, such as their absorption and refractive index distributions. However,…
The exciton binding energy, the energy required to dissociate an excited electron-hole pair into free charge carriers, is one of the key factors to the optoelectronic performance of organic materials. However, it remains unclear whether…
Recent studies have suggested a new phase in the extended Bose-Hubbard model in one dimension at integer filling [1,2]. In this work, we show that this new phase is phase-separated into a supersolid and superfluid part, generated by…
We investigate for optimal photon absorption a quantum electrodynamical model of an inhomogeneously-broadened spin ensemble coupled to a single-mode cavity. Solutions to this problem under experimental assumptions are developed in the…
We describe a scheme into which a camera is turned into an efficient tunable frequency filter of a few Hertz bandwidth in an off-axis, heterodyne optical mixing configuration, enabling to perform parallel, high-resolution coherent spectral…
Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange…
When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant importance. For such systems, however, methods to describe the…
Ensemble Density Functional Theory (EDFT) is a promising extension to Density Functional Theory (DFT) for calculating excited states. While Kohn-Sham eigenvalue differences underestimate gaps, EDFT has been shown to provide more accurate…
An adaptive algorithm for spectral proper orthogonal decomposition (SPOD) of mixed broadband-tonal turbulent flows is developed. Sharp peak resolution at tonal frequencies is achieved by locally minimizing the bias of the spectrum. Smooth…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…
We present a density functional theory parametrized hybrid k$\cdot$p tight binding model for electronic properties of atomically thin films of transition-metal dichalcogenides, 2H-$MX_2$ ($M$=Mo, W; $X$=S, Se). We use this model to analyze…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…