Related papers: Spin-Adapted TDDFT
A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin up and spin down population. Predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014)] are based on the…
We present a relativistic time-dependent density functional theory (TDDFT) approach for the simulation of resonant inelastic X-ray scattering (RIXS) spectra, based on both a full four-component (4c) Dirac-Coulomb Hamiltonian and a modern…
The widespread use of (generalized) Kohn-Sham density functional theory (KS-DFT) lies in the fact that hierarchical sets of approximations of the exchange-correlation (XC) energy functional can be designed, offering versatile choices to…
Time reversal and spin flip are discrete symmetry operations of substantial import to quantum information and quantum computation. Spin flip arises in the context of separability, quantification of entanglement and the construction of…
We consider the $2$-spin spherical Sherrington--Kirkpatrick model whose disorder is given by a deformed Wigner matrix of the form $W+\lambda V$, where $W$ is a Wigner matrix and $V$ is a random diagonal matrix with i.i.d. entries. Assuming…
Photo-active systems are characterized by their capacity of absorbing light energy and transforming it. Usually, more than one chromophore is involved in the light absorption and excitation transport processes in complex systems.…
In the presence of spin and pseudospin (p-spin) symmetries, the approximate analytical bound states of the Dirac equation for scalar-vector-tensor Hulth\'en potentials are obtained with any arbitrary spin-orbit coupling number using the…
Time-dependent density-functional theory (TDDFT) treats dynamical exchange and correlation (xc) via a single-particle potential, Vxc(r,t), defined as a nonlocal functional of the density n(r',t'). The popular adiabatic local-density…
Distinct quantum vacua of topologically ordered states can be tunneled into each other via extended operators. The possible applications include condensed matter and quantum cosmology. We present a straightforward approach to calculate the…
We study the spin ladder model with interactions between spins on neighboring rungs. The model Hamiltonian with the exact singlet ground state degenerated with ferromagnetic state is obtained. The singlet ground state wave function has a…
Time-Dependent Density Functional Theory (TDDFT) has been currently established as a computationally cheaper, yet effective, alternative to the Many-Body Perturbation Theory (MBPT) for calculating the optical properties of solids. Within…
We consider a Fisher-KPP equation with density-dependent diffusion and advection, arising from a chemotaxis-growth model. We study its behavior as a small parameter, related to the thickness of a diffuse interface, tends to zero. We…
We develop new adaptive algorithms for temporal integration of nonlinear evolution equations on tensor manifolds. These algorithms, which we call step-truncation methods, are based on performing one time step with a conventional…
Approximate analytical bound-state solutions of the Dirac particle in the field of both attractive and repulsive RM potentials including Coulomb-like tensor (CLT) potential are obtained for arbitrary spin-orbit quantum number The Pekeris…
We investigate abilities of various linear response based techniques for extracting parameters of antisymmetric Dzyaloshinskii-Moriya (DM) interactions from the first-principles electronic structure calculations. For these purposes, we…
Using a recently developed extension of the time-dependent variational principle for matrix product states, we evaluate the dynamics of 2D power-law interacting XXZ models, implementable in a variety of state-of-the-art experimental…
Rydberg atoms allow for the experimental study of open many-body systems and nonequilibrium phenomena. High dephasing rates are a generic feature of these systems, and therefore they can often be described by rate equations, i.e. in the…
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…
Linear response time dependent density functional theory (TDDFT), which builds upon configuration interaction singles (CIS) and TD-Hartree-Fock (TDHF), is the most widely used class of excited state quantum chemistry methods and is often…
We study spin transport in forward and reverse biased junctions between a ferromagnetic metal and a degenerate semiconductor with a delta-doped layer near the interface at relatively low temperatures. We show that spin polarization of…