相关论文: Absorbing Boundary Conditions for Time-dependent S…

We present an implementation of absorbing boundary conditions for the Einstein equations based on the recent work of Buchman and Sarbach. In this paper, we assume that spacetime may be linearized about Minkowski space close to the outer…

An efficient method is proposed for numerical solutions of nonlinear Schr\"{o}dinger equations in an unbounded domain. Through approximating the kinetic energy term by a one-way equation and uniting it with the potential energy equation,…

Generalized impedance boundary conditions are effective, approximate boundary conditions that describe scattering of waves in situations where the wave interaction with the material involves multiple scales. In particular, this includes…

The time-dependent density functional (TDDFT) equations may be written either for the Kohn-Sham orbitals in Hilbert space or for the single electron density matrix in Liouville space. A collective-oscillator, quasiparticle, representation…

By the multiple-scale method some new approximate absorbing boundary conditions for the Schr\"odinger type equations are obtained.

We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current…

We study the pattern dynamics in a reaction diffusion model of the activator--inhibitor type in the oscillatory regime. We consider finite systems with partially absorptive boundary conditions analizing examples in different geometries in…

The focus of this work is on the construction of a family of nonlinear absorbing boundary conditions for the Westervelt equation in one and two space dimensions. The principal ingredient used in the design of such conditions is…

The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…

We report a quantitative, analytical and numerical, comparison between two models of the interaction of a non-relativistic quantum particle with a thin time-dependent absorbing barrier. The first model represents the barrier by a set of…

We present an absorbing boundary condition for electromagnetic frequency domain simulations of photonic crystals and metamaterials. This boundary condition can simultaneously absorb multiple Bloch-Floquet eigenmodes of a periodic crystal,…

Consider a non-relativistic quantum particle with wave function inside a region $\Omega\subset \mathbb{R}^3$, and suppose that detectors are placed along the boundary $\partial \Omega$. The question how to compute the probability…

Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…

This paper uses linear magnetohydrodynamics to model resonant absorption in coronal plasma with a Cartesian coordinate system. We impose line-tied boundary conditions and tilt the background magnetic field to be oblique to the transition…

We present an analytical study of the time dependent diffusion coefficient in a dilute suspension of spheres with partially absorbing boundary condition. Following Kirkpatrick (J. Chem. Phys. 76, 4255) we obtain a perturbative expansion for…

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…

We propose a novel approach to simulate the solution of the time-dependent Schr\"odinger equation with a general variable potential. The key idea is to approximate the Titchmarsh-Weyl m-function (exact Dirichlet-to-Neumann operator) by a…

X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…

Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…

The logical structure and the basic theorems of time-dependent current density functional theory (TDCDFT) are analyzed and reconsidered from the point of view of recently proposed time-dependent deformation functional theory (TDDefFT). It…