Related papers: Novel Approach to Structural Relaxation of Materia…
We demonstrate that in confined plasmonic metal structures subject to ultra-fast laser excitation electron thermal diffusion can provide relaxation faster than the energy transfer to the lattice. This relaxation occurs due to excitation of…
We present a first-principles method for the calculation of the temperature-dependent relaxation of symmetry-breaking atomic driving forces in photoexcited systems. We calculate the phonon-assisted decay of the photoexcited force on the…
In this paper we analyze the dynamics of single-excitation states, which model the scattering of a single photon from multiple two level atoms. For short times and weak atom-field couplings we show that the atomic amplitudes are given by a…
Using the Boltzmann transport equation (BTE), we study the evolution of nonequilibrium carrier distributions in simple ($sp$) metals, assumed to have been instantaneously excited by an ultrafast laser pulse with photon energy $h \nu$. The…
The prospective of optically inducing a spin polarized current for spintronic devices has generated a vast interest in the out-of-equilibrium electronic and spin structure of topological insulators (TIs). In this Letter we prove that only…
We investigate the relaxation energies and excited state geometries of the light emitting polymer, poly(para-phenylene). We solve the Pariser-Parr-Pople-Peierls model using the density matrix renormalization group method. We find that the…
To fully explore exciton-based applications and improve their performance, it is essential to understand the exciton behavior in anisotropic materials. Here, we investigate the optical properties of anisotropic excitons in GeS encapsulated…
We solve the Bethe-Salpeter equation for a system of a heavy quark-antiquark pair interacting with a screened linear confining potential. First we show the spinless QFT model is inadequate and fail to describe even gross feature of the…
The Bethe-Salpeter equation provides the most widely used technique to extract bound states and resonances in a relativistic Quantum Field Theory. Nevertheless a thorough discussion how to identify its solutions with physical states is…
Structural relaxation in the peptide model N-methylacetamide (NMA) is studied experimentally by ultrafast optical Kerr-effect spectroscopy over the normal-liquid temperature range and compared to the relaxation measured in water at room…
By numerical integration, we study the relaxation dynamics of degenerate harmonic oscillator modes dispersively coupled to particle positions. Depending on whether the effective inertial potential induced by the oscillators keep the…
We present a novel theoretical scheme for orbital relaxation in configuration interaction singles (CIS) based on a perturbative treatment of its electronic Hessian, whose analytical derivation is also established in this work. The proposed…
We study the dynamics of a two-component Bose-Einstein condensate (BEC) of $^{174}$Yb atoms coherently driven on a narrow optical transition. The excitation transfers the BEC to a superposition of states with different internal and momentum…
Exciton-polaritons are light-matter hybrid quasi-particles that have emerged as a flexible platform for developing quantum technologies and engineering material properties. However, the fundamental mechanistic principles that govern their…
The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…
We study x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers (SAMs), investigating excitations from the nitrogen K edge. Azobenzene with H-termination and functionalized with CF3 groups is considered. The…
In this contribution we review in a rigorous, yet comprehensive fashion the assessment of the one-body reduced density matrices derived from the most used single-reference excited-state calculation methods in the framework of the…
We consider the numerical solution of a nonlocal partial differential equation which models the process of collective spontaneous emission in a two-level atomic system containing a single photon. We reformulate the problem as an…
Recently developed neural network-based wave function methods are capable of achieving state-of-the-art results for finding the ground state in real space. In this work, a neural network-based method is used to compute excited states. We…
A straight forward numerical technique, based on the Gross-Pitaevskii equation, is used to generate a self-consistent description of thermally-excited states of a dilute boson gas. The process of evaporative cooling is then modelled by…