Related papers: Spin-Adapted TDDFT
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…
This letter is on the performance of the turbo signal recovery (TSR) algorithm for partial discrete Fourier transform (DFT) matrices based compressed sensing. Based on state evolution analysis, we prove that TSR with a partial DFT sensing…
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…
The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and…
Exclusive baryon pair production through the radiative return is a unique tool to determine the electric and the magnetic form factors in the timelike region over a wide range of energies. The decay of lambda-baryons into p + pi- can be…
The Kirchhoff-Helmholtz principle of least heat dissipation is applied in order to derive the stationary state of the spin-Hall effect. Spin-accumulation due to spin-orbit interaction, spin-flip relaxation, and electrostatic interaction due…
Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in the newest hybrid functionals. In this Letter we treat the…
This paper studies tensors that admit decomposition in the Extended Tensor Train (ETT) format, with a key focus on the case where some decomposition factors are constrained to be equal. This factor sharing introduces additional challenges,…
We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter…
We study low-rank tensor methods for the numerical solution of Schr\"odinger's equation with time-independent and explicitly time-dependent Hamiltonians, motivated by large-scale simulations of many-body quantum systems and quantum…
Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT…
The time-dependent Hartree-Fock equation is solved by the Wigner Function Moments method taking into account spin degrees of freedom. Energies and reduced transition probabilities of $K^\pi=0^-$, $1^-$ and $2^-$ excitations are calculated…
Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework,…
Real-time time-dependent density functional theory (RT-TDDFT) is a powerful approach for investigating various ultrafast phenomena in materials. However, most existing RT-TDDFT studies rely on adiabatic local or semi-local approximations,…
We study the effects of spin-flip scatterings on the time-dependent transport properties through a magnetic quantum dot attached to normal and ferromagnetic leads. The transient spin-dynamics as well as the steady-state tunneling…
Electronic response properties of high-energy density (HED) systems influence planetary structure, drive evolution of fusion targets, and underpin diagnostics in laboratory astrophysics. Real-time time-dependent density functional theory…
The tensor train decomposition decomposes a tensor into a "train" of 3-way tensors that are interconnected through the summation of auxiliary indices. The decomposition is stable, has a well-defined notion of rank and enables the user to…
This paper presents the boundary conditions needed for drift-diffusion models to treat interfaces with spin-orbit coupling. Using these boundary conditions for heavy metal/ferromagnet bilayers, solutions of the drift-diffusion equations…
In this note, first the Recurrent Variational Approach (RVA) is introduced by using as example a non-trivial spin-model, the spin-1/2 antiferromagnetic two-leg-ladder. Then, a first application of this scheme to the electronic structure of…
The light-cone gauge approach to $T{\overline T}$ deformed models is generalised to models deformed by U(1) conserved currents $J^\alpha$, $\widetilde J^\alpha$, stress-energy tensor $T^\alpha{}_\beta$, and their various quadratic…