Related papers: An Efficient and Accurate Grid Method for Solving …
Electrons colliding with spatially fixed ions in strong laser fields are investigated by solving the time-dependent Schr\"odinger equation. Considering first simple one-dimensional model systems, the mechanisms and energy spectra of fast…
Photoelectron spectra obtained from the ab initio solution of the time-dependent Schr\"odinger equation can be in striking disagreement with predictions by the strong-field approximation (SFA) not only at low energy but also around twice…
Wave self-focusing in molecular systems subject to thermal effects, such as thin molecular films and long biomolecules, can be modeled by stochastic versions of the Discrete Self-Trapping equation of Eilbeck, Lomdahl and Scott, and this can…
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…
Mesoscopic systems and large molecules are often modeled by graphs of one-dimensional wires, connected at vertices. In this paper we discuss the solutions of the Schr\"odinger equation on such graphs, which have been named "quantum…
In this work, we propose an efficient and robust multigrid method for solving the time-fractional heat equation. Due to the nonlocal property of fractional differential operators, numerical methods usually generate systems of equations for…
We present the numerical implementation of the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method [Phys. Rev. A, 88, 023402 (2013)] for atoms driven by a strong linearly polarized laser pulse. The present…
Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to…
We improve the complex scaling method (CSM) to obtain virtual states, which were previously challenging in the conventional CSM. Our approach solves the Schr\"odinger equation in the momentum space as an eigenvalue problem by choosing the…
One of the unitary forms of the quantum mechanical time evolution operator is given by Cayley's approximation. A numerical implementation of the same involves the replacement of second derivatives in Hamiltonian with the three-point…
We present a stochastic method for solving the time-dependent Schr\"odinger equation, generalizing a ground-state full configuration interaction Quantum Monte Carlo method. By performing the time-integration in the complex plane close to…
We review two common numerical schemes for Coulomb potential evaluation that differ only in their radial part of the solutions in the spherical harmonic expansion (SHE). One is based on finite-difference method (FDM) while the other is…
A fast and stable numerical method is formulated to compute the time evolution of a wave function in a magnetic field by solving the time-dependent Schroedinger equation. This computational method is based on the finite element method in…
We show that the method of factorizing the evolution operator to fourth order with purely positive coefficients, in conjunction with Suzuki's method of implementing time-ordering of operators, produces a new class of powerful algorithms for…
A matrix inverse free method to solve time-dependent Schrodinger equation is presented. The method is not subject to form of Hamiltonian and adopting real space grid system such as structured and unstructured grid, and achieves the order N…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
This paper improves the convergence and robustness of a multigrid-based solver for the cross sections of the driven Schroedinger equation. Adding an Coupled Channel Correction Step (CCCS) after each multigrid (MG) V-cycle efficiently…
I consider the nonaxisymmetric linear theory of a rotating, isothermal magnetohydrodynamic (MHD) shear flow. The analysis is performed in the shearing box, a local model of a thin disk, using a decomposition in terms of shearing waves,…
The Helmholtz equation arises when modeling wave propagation in the frequency domain. The equation is discretized as an indefinite linear system, which is difficult to solve at high wave numbers. In many applications, the solution of the…
We consider the interaction of hydrogen-like atoms with a strong laser field and show that the strong field approximation and all its variants may be grouped into a set of families of approximation schemes. This is done by introducing an…