相关论文: Quantum Many-Body Effects in X-Ray Spectra Efficie…
We present a unified many-body perturbation theory for open quantum systems, that treats dissipation, correlations, and external driving on equal footing. Using a Keldysh-Lindblad formalism, we introduce diagrammatic treatment of…
An algorithm to compute efficiently the first two derivatives of (very) large multideterminant wavefunctions for quantum Monte Carlo calculations is presented. The calculation of determinants and their derivatives is performed using the…
Neural-network variational Monte Carlo (NNVMC) has emerged as a powerful tool for solving quantum many-body problems, yet systematic pathways for improving its accuracy remain largely heuristic. Here, we introduce a physically motivated…
Disorder, though naturally present in experimental samples and strongly influencing a wide range of material phenomena, remains underexplored in first-principles studies due to the computational cost of sampling the large supercell and…
Within Fermionic Molecular Dynamics we investigate fragmentation of a compound system which was created in a heavy-ion collision at a beam energy in the Fermi energy domain and the decay of excited iron nuclei. We show that in FMD many-body…
A Fano resonance mechanism is evidenced to control the formation of optical Fermi-edge singularities in multi-subband systems such as remotely doped AlxGa1-xAs heterostructures. Using Fano parameters, we probe the physical nature of the…
The study of an optical beam interacting with material structures is a fundamental of nanophotonics. Computational electromagnetic solvers facilitate the rapid calculation of the scattering from material structures with arbitrary geometry…
Theoretical research into many-body quantum systems has mostly focused on regular structures which have a small, simple unit cell and where a vanishingly small number of pairs of the constituents directly interact. Motivated by advances in…
In this work, we characterize the performance of a deep convolutional neural network designed to detect and quantify chemical elements in experimental X-ray photoelectron spectroscopy data. Given the lack of a reliable database in…
Understanding the real-time evolution of many-electron quantum systems is essential for studying dynamical properties in condensed matter, quantum chemistry, and complex materials, yet it poses a significant theoretical and computational…
High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They…
Understanding how the dynamics of a given quantum system with many degrees of freedom is altered by the presence of a generic perturbation is a notoriously difficult question. Recent works predict that, in the overwhelming majority of…
Multi-loop scattering amplitudes constitute a serious bottleneck in current high-energy physics computations. Obtaining new integrand level representations with smooth behaviour is crucial for solving this issue, and surpassing the…
Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise…
We report a novel mechanism, consisting of redistribution of valence electrons near the Fermi level, during interactions of intense femtosecond X-ray pulses with a Co/Pd multilayer. The changes in Co 3d valence shell occupation were…
The treatment of electronic correlations in open-shell systems is among the most challenging problems of condensed matter theory. Current approximations are only partly successful. Ligand field multiplet theory (LFMT) has been widely…
This article offers a new perspective for the mechanics of solids using moving Cartan's frame, specifically discussing a mixed variational principle in non-linear elasticity. We treat quantities defined on the co-tangent bundles of…
Accurate spectral analysis of high-energy astrophysical sources often relies on comparing observed data to incident spectral models convolved with the instrument response. However, for Gamma-Ray Bursts and other high-energy transient events…
We consider a simple neural field model in which the state variable is dendritic voltage, and in which somas form a continuous one-dimensional layer. This neural field model with dendritic processing is formulated as an integro-differential…