相关论文: Exterior Complex Scaling Approach for Atoms and Mo…
We calculate accurate eigenvalues and eigenfunctions of the Schr\"odinger equation for a two-dimensional quantum dipole. This model proved useful for the study of elastic effects of a single edge dislocation. We show that the Rayleigh-Ritz…
This paper explores the explicit design of quantum circuits for quantum simulation of partial differential equations (PDEs) with physical boundary conditions. These equations and/or their discretized forms usually do not evolve via unitary…
This paper deals with the spectral element modeling of seismic wave propagation at the global scale. Two aspects relevant to low-frequency studies are particularly emphasized. First, the method is generalized beyond the Cowling…
The long-standing challenge to describing charged particle dynamics in strong classical electromagnetic fields is how to incorporate classical radiation, classical radiation reaction and quantized photon emission into a consistent unified…
We present exact solutions of the Schr\"odinger equation for a quantum system with complex mass subjected to a complex Morse potential in the extended complex phase space. The normalized eigenfunctions and corresponding eigenspectra are…
A finite element approach for approximating the solution of a mathematical model for the response of a penetrable, bounded object (obstacle) to the excitation by an external electromagnetic field is presented and investigated. The model…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
This study concerns finite basis set $\{\chi_k\}$ calculations of resonances based on real scaling, $\chi_k(x)\to \chi_k(xe^{-\eta})$. I demonstrate that resonance width is generally influenced by several neighboring quasi-discrete…
The Schrodinger equation incorporating the long-range Coulomb potential takes the form of a Fredholm equation whose kernel is singular on its diagonal when represented by a basis bearing a continuum of states, such as in a Fourier-Bessel…
We calculate the hydrogen molecule ion from the two particle Schr"odinger equation. Therefore a very simple two particle basis set is chosen. We suggest this ansatz to be used to solve the "two electron one phonon" three particle…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
For the $S$ states of two-electron atoms, we introduce an exact and unique factorization of the internal eigenfunction in terms of a marginal amplitude, which depends functionally on the electron-nucleus distances $r_1$ and $r_2$, and a…
Scattering resonances have important applications in many areas of science and engineering. They are the replacement of discrete spectral data for problems on non-compact domains. In this paper, we consider the computation of scattering…
The time independent Schoedinger equation for two electrons confined in a parabolic external potential is solved. Developing this solution in terms of a dimensionless variable it is demonstrated that parameterization of the strength of the…
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…
We solve the Schr\"odinger equation with a position-dependent mass (PDM) charged particle interacted via the superposition of the Morse and Coulomb potentials and exposed to external magnetic and Aharonov-Bohm (AB) flux fields. The…
We formulate a general three-dimensional semiclassical model for the study of correlated multielectron escape during fragmentation of molecules driven by intense infrared laser pulses, while fully accounting for the magnetic field of the…
An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…
The complex scaling method (CSM) provides with a way to obtain resonance parameters of particle unstable states by rotating the coordinates and momenta of the original Hamiltonian. It is convenient to use an L$^2$ integrable basis to…
The complete theoretical description of experimentally observed magnetoexcitons in cuprous oxide has been achieved by F. Schweiner et al [Phys. Rev. B 95, 035202 (2017)], using a complete basis set and taking into account the valence band…