Related papers: Dynamical Kernels for Optical Excitations
Two-color laser fields offer significantly enhanced control over electron excitation dynamics under ultrashort intense laser pulses compared to monochromatic fields. However, their strong nonlinearity necessitates computationally expensive…
Dynamic metamolecules (DMMs) are composed of a dielectric core made of hydrogel surrounded by randomly-packed plasmonic beads that can display magnetic resonances when excited by light at optical frequencies. Their optical properties can be…
We present exact results for the dynamical structure function, i.e.~the density-density correlations for the 1/r^2 system of interacting particles at three special values of the coupling constant. The results are interpreted in terms of…
We report a local, weight-dependent correlation density-functional approximation that incorporates information about both ground and excited states in the context of density-functional theory for ensembles (eDFT). This density-functional…
Research in modern data-driven dynamical systems is typically focused on the three key challenges of high dimensionality, unknown dynamics, and nonlinearity. The dynamic mode decomposition (DMD) has emerged as a cornerstone for modeling…
This expository article presents the approach to statistical machine learning based on reproducing kernel Hilbert spaces. The basic framework is introduced for scalar-valued learning and then extended to operator learning. Finally, learning…
This article presents a general framework for the transport of probability measures towards minimum divergence generative modeling and sampling using ordinary differential equations (ODEs) and Reproducing Kernel Hilbert Spaces (RKHSs),…
Dynamic control of atomic dressing to the highly-excited Rydberg state in multi-level systems has special appeals owing to the development of flexible and precise measurement. In this study we develop an experimentally-accessible proposal…
The attosecond, time-resolved X-ray double-quantum-coherence (XDQC) four wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory…
Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
Terahertz Kerr-effect (TKE) spectroscopy provides a time-domain optical probe of the intermolecular structural dynamics of liquids, but the measured birefringence can only be interpreted microscopically if transient molecular structure,…
The Bethe-Salpeter equation (BSE) is the key equation in many-body perturbation theory based on Green's functions to access response properties. Within the $GW$ approximation to the exchange-correlation kernel, the BSE has been successfully…
Diffusion transformers (DiTs) have emerged as a powerful architecture for high-fidelity image generation, yet the quadratic cost of self-attention poses a major scalability bottleneck. To address this, linear attention mechanisms have been…
The adiabatic approximation in time-dependent density functional theory (TDDFT) yields reliable excitation spectra with great efficiency in many cases, but fundamentally fails for states of double excitation character. We discuss how…
Nuclear quantum effects and non-Born--Oppenheimer effects play a vital role in many chemical and biological processes, motivating the incorporation of such effects into dynamical simulations. In real-time nuclear--electronic orbital…
In this paper, we study sharp two-sided heat kernel estimates for a large class of symmetric reflected diffusions with jumps on the closure of an inner uniform domain $D$ in a length metric space. The length metric is the intrinsic metric…
The heat kernel expansion is a very convenient tool for studying one-loop divergences, anomalies and various asymptotics of the effective action. The aim of this report is to collect useful information on the heat kernel coefficients…
Calculating the frequency dependent dielectric function for strongly coupled plasmas, the relations within kinetic theory and linear response theory are derived and discussed in comparison. In this context, we proof the Kohler variational…
Resonant dipole-dipole interaction modifies the energy and decay rate of electronic excitations for finite one dimensional chains of ultracold atoms in an optical lattice. We show that collective excited states of the atomic chain can be…