Related papers: RhoDyn: a $\rho$-TD-RASCI framework to study ultra…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
Complex spin-spin interactions in magnets can often lead to magnetic superlattices with complex local magnetic arrangements, and many of the magnetic superlattices have been found to possess non-trivial topological electronic properties.…
The interface electronic structure of correlated LaTiO$_3$/SrTiO$_3$ superlattices is investigated by means of the charge self-consistent combination of the local density approximation (LDA) to density functional theory (DFT) with dynamical…
Thermalization and its breakdown in interacting quantum many-body systems are governed by mid-spectrum eigenstates, which are typically accessible only in small system sizes amenable to exact diagonalization. Here we demonstrate that the…
This paper employs a Bose-Einstein condensates to simulate the dynamical response of bound electrons in a strongly oscillating pulsed laser field. We investigate the excitation dynamics of Bose-Einstein condensates with repulsive…
Highly energetic, relativistic electrons are commonly present in many astrophysical systems, from solar flares to the intra-cluster medium, as indicated by observed electromagnetic radiation. However, open questions remain about the…
Supersonic turbulence is a large reservoir of suprathermal energy in the interstellar medium. Its dissipation, because it is intermittent in space and time, can deeply modify the chemistry of the gas. We further explore a hybrid method to…
We propose a pair spin-orbit interaction (PSOI) mechanism by establishing a mesoscopic many-particle Rashba Hamiltonian. In lowest order, this Hamiltonian self-consistently describes exciton spin relaxation in monolayer transition metal…
Laser control of molecular rotation is an area of active research. A number of recent studies has aimed at expanding the reach of rotational control to extreme, previously inaccessible rotational states, as well as controlling the…
A successful and promising device for the physical implementation of electron spin-valley based qubits is the Transition Metal Dichalcogenide monolayer (TMD-ML) semiconductor quantum dot. The electron spin in TMD-ML semiconductor quantum…
A general variational approach for computing the rovibrational dynamics of polyatomic molecules in the presence of external electric fields is presented. Highly accurate, full-dimensional variational calculations provide a basis of…
Understanding the behavior and evolution of a dynamical many-body system by analyzing patterns in their experimentally captured images is a promising method relevant for a variety of living and non-living self-assembled systems. The arrays…
Ultrafast electronic dynamics in solids lies at the core of modern condensed matter and materials physics. To build up a practical ab initio method for studying solids under photoexcitation, we develop a momentum-resolved real-time time…
Experimental observations of the ultrafast (less than 50 fs) demagnetization of Ni have so far defied theoretical explanations particularly since its spin-flipping time is much less than that resulting from spin-orbit and electron-lattice…
A non-equilibrium plasma was studied using classical electrodynamic field theory. Non-linear interaction terms contribute to a finite lifetime for the dressed electrodynamic field. The lifetime exhibits a $\sim n^{-1} T_{e}^{3/2}…
The aim of this review is twofold. First, a general approach is presented allowing for a unified description of dynamics in radiating systems of different nature. Both atomic systems as well as spin assemblies can be treated in the frame of…
We investigate the ultrafast electron dynamics of a model of a wide-bandgap material with inner, valence, and conduction bands excited by an intense few-femtosecond pump and monitored by a delayed attosecond extreme-ultraviolet probe pulse.…
An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral…
We present the time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory as a new framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock…
Although the effects of the electronic excitations during high-energy radiation damage processes are not currently understood, it is shown that their role in the interaction of radiation with matter is important. We perform molecular…