相关论文: Nonlinear Density Response and Higher Order Correl…
We present density response estimators for Monte Carlo simulations that are based on a reweighting procedure, where the samples of an unperturbed system are used to estimate the properties of a system perturbed by an external harmonic…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
The static density response of the uniform electron gas is of fundamental importance for numerous applications. Here, we employ the recently developed \textit{ab initio} permutation blocking path integral Monte Carlo (PB-PIMC) technique…
The dynamics of electrons and atoms interacting with intense and ultrashort optical pulses presents an important problem in physics that cuts across different materials such as semiconductors and metals. The currently available laser…
The density-density correlations of the non-interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utilizing general relations from linear response theory, known and…
The screening of a test charge by partially degenerate non-ideal free electrons at conditions related to warm dense matter and dense plasmas is investigated using linear response theory and the local field correction based on ab inito…
A physical model based on a Monte-Carlo approach is proposed to calculate the ionization dynam- ics of warm dense matters (WDM) within particle-in-cell simulations, and where the impact (col- lision) ionization (CI), electron-ion…
Transport measurements are a powerful way to probe the electronic structure of quantum materials, but the information they contain is often convoluted. Yet, in particular for simple low-energy fermiologies, and by combining linear and…
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the harmonically perturbed uniform electron gas (UEG) for different densities and temperatures. This allows us to study the linear response of the UEG…
We propose a self-validating scheme to calculate the unbiased responses of quantum many-body systems to external fields of arbibraty strength at any temperature. By switching on a specified field to a thermal pure quantum state of an…
Nonlinear responses give rise to various exciting phenomena, which are forbidden in linear responses. Among them, one of the most fascinating phenomena is the recently observed giant spontaneous Hall effect in $\mathrm{Ce_{3}Bi_{4}Pd_{3}}$.…
A recently developed quasi two-dimensional exact-exchange formalism within the framework of Density Functional Theory has been applied to a strongly inhomogeneous interacting electron gas, and the results were compared with state-of-the-art…
Linear response theory is ubiquitous throughout physics and plays a central role in the theoretical description of warm dense matter -- an extreme state that occurs within compact astrophysical objects and that is traversed on the…
Nearly all thermal radiation phenomena involving materials with linear response can be accurately described via semi-classical theories of light. Here, we go beyond these traditional paradigms to study a nonlinear system which, as we show,…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…
A real-space representation of the current response of many-electron systems with possible applications to x-ray nonlinear spectroscopy and magnetic susceptibilities is developed. Closed expressions for the linear, quadratic and third-order…
Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard…
We calculate the linear and non-linear susceptibilities of periodic longitudinal chains of hydrogen dimers with different bond-length alternations using a diffusion quantum Monte Carlo approach. These quantities are derived from the changes…