相关论文: Absorbing boundaries in numerical solutions of the…
The split-operator pseudo-spectral method based on the fast Fourier transform (SO-FFT) is a fast and accurate method for the numerical solution of the time-dependent Schr\"odinger-like equations (TDSE). As well as other grid-based…
It is shown that exterior complex scaling provides for complete absorption of outgoing flux in numerical solutions of the time-dependent Schr\"odinger equation with strong infrared fields. This is demonstrated by computing high harmonic…
Theoretical treatments of strong-field physics have long relied on the numerical solution of the time-dependent Schr\"odinger equation. The most effective such treatments utilize a discrete spatial representation---a grid. Since most…
Absorbing boundaries are frequently employed in real-time propagation of the Schr\"odinger equation to remove spurious reflections and efficiently emulate outgoing boundary conditions. These conditions are a fundamental ingredient for an…
The perfectly matched layers (PML) and exterior complex scaling (ECS) methods for absorbing boundary conditions are analyzed using spectral decomposition. Both methods are derived through analytical continuations from unitary to contractive…
We present a numerical implementation of the infinite-range exterior complex scaling (irECS) [Phys. Rev. A 81, 053845 (2010)] as an efficient absorbing boundary to the time-dependent complete-active-space self-consistent field (TD-CASSCF)…
We present an approach to numerically solving the time-dependent Schroedinger equation and other parabolic equations by the split-step technique with fast Fourier transform, which suppresses the backreflection of waves from the grid…
We perform the analysis of the focusing nonlinear Schr\"odinger equation on the half-line with time-dependent boundary conditions along the lines of the nonlinear method of images with the help of B\"acklund transformations. The difficulty…
Absorbing boundary conditions are presented for three-dimensional time-dependent Schr\"odinger-type of equations as a means to reduce the cost of the quantum-mechanical calculations. The boundary condition is first derived from a…
Two non-equidistant grid implementations of infinite range exterior complex scaling are introduced that allow for perfect absorption in the time dependent Schr\"odinger equation. Finite element discrete variables grid discretizations…
We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…
We propose an adaptive approach in picking the wave-number parameter of absorbing boundary conditions for Schr\"{o}dinger-type equations. Based on the Gabor transform which captures local frequency information in the vicinity of artificial…
Elastic quantum bound-state reflection from a hard-wall boundary provides direct information regarding the structure and compressibility of quantum bound states. We discuss elastic quantum bound-state reflection and derive a general theory…
We numerically investigate the one-dimensional transport of Bose-Einstein condensates in the context of guided atom lasers using a mean-field description of the condensate in terms of a spatially discretized Gross-Pitaevskii equation. We…
The relaxation time of a classical spin interacting with a large conduction-electron system is computed for a weak magnetic field, which initially drives the spin out of equilibrium. We trace the spin and the conduction-electron dynamics on…
A common approach for the numerical simulation of wave propagation on a spatially unbounded domain is to truncate the domain via an artificial boundary, thus forming a finite computational domain with an outer boundary. Absorbing boundary…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
We explore the phenomena of absorption/emission of solitons by an integrable boundary for the nonlinear Schr\"odinger equation on the half-line. This is based on the investigation of time-dependent reflection matrices which satisfy the…
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,…
The Schroedinger equation with an energy-dependent complex absorbing potential, associated with a scattering system, can be reduced for a special choice of the energy-dependence to a harmonic inversion problem of a discrete pseudo-time…