Related papers: Ab initio quantum embedding at finite temperature …
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
In recent years, a method for computing spin dynamics at infinite temperature (spinDMFT) was developed. It utilizes the ideas of dynamical mean-field theory for fermions: single-site approximation and a self-consistency condition to…
We implement a bootstrap method that combines stationary state conditions, thermal inequalities, and semidefinite relaxations of matrix logarithm in the ungauged one-matrix quantum mechanics, at finite rank N as well as in the large N…
We extend the FE-DMN method to fully coupled thermomechanical two-scale simulations of composite materials. In particular, every Gauss point of the macroscopic finite element model is equipped with a deep material network (DMN). Such a DMN…
The infinite time-evolving block decimation (iTEBD) algorithm [Phys. Rev. Lett. 98, 070201 (2007)] allows to simulate unitary evolution and to compute the ground state of one-dimensional quantum lattice systems in the thermodynamic limit.…
For the simulation of equilibrium states and finite-temperature response functions of strongly-correlated quantum many-body systems, we compare the efficiencies of two different approaches in the framework of the density matrix…
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principles molecular dynamics (FPMD), require a huge amount of…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
Wave-function methods have offered a robust, systematically improvable means to study ground-state properties in quantum many-body systems. Theories like coupled cluster and their derivatives provide highly accurate approximations to the…
If we prepare an isolated, interacting quantum system in an eigenstate and perturb a local observable at an initial time, its expectation value will relax towards a thermal expectation value, even though the time evolution of the system is…
Finite-temperature DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM). Subclasses of WCM are Warm-dense matter (WDM), ultra-fast matter (UFM), and high-energy…
Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…
We explore quantum electrodynamics in (1+1) dimensions at finite temperature using the method of Discretized Light-Cone Quantisation. The partition function, energy and specific heat are computed in the canonical ensemble using the spectrum…
In this contribution we review the theory of integrability of quantum systems in one spatial dimension. We introduce the basic concepts such as the Yang-Baxter equation, commuting currents, and the algebraic Bethe ansatz. Quite extensively…
Isolated quantum systems typically approach thermal equilibrium as described by the Eigenstate Thermalization Hypothesis (ETH). Going beyond this involves either higher order correlators (full thermalization) or the formation of state…
We consider finite volume (or equivalently, finite temperature) expectation values of local operators in integrable quantum field theories using a combination of numerical and analytical approaches. It is shown that the truncated conformal…
A practical finite temperature theory is developed for the superfluid regime of a weakly interacting Bose gas in an optical lattice with additional harmonic confinement. We derive an extended Bose-Hubbard model that is valid for shallow…
We calculate various quantities that characterize the dissimilarity of reduced density matrices for a short interval of length $\ell$ in a two-dimensional (2D) large central charge conformal field theory (CFT). These quantities include the…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
The Eigenstate Thermalization Hypothesis (ETH) has been established as a cornerstone for understanding thermalization in quantum many-body systems. Recently, there has been growing interest in the full ETH, which extends the framework of…