Related papers: Multidimensional quantum dynamics with explicitly …
Hagedorn functions are carefully constructed generalizations of Hermite functions to the setting of many-dimensional squeezed and coupled harmonic systems. Wavepackets formed by superpositions of Hagedorn functions have been successfully…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…
We present a new approach to numerically model continuum radiative transfer based on the Optically Thin Variable Eddington Tensor (OTVET) approximation. Our method insures the exact conservation of the photon number and flux (in the…
The interaction of a helium atom with intense short 800 nm laser pulse is studied theoretically beyond the single-active-electron approximation. For this purpose, the time-dependent Schr\"odinger equation for the two-electron wave packet…
We present a wave-function based method to solve the time-dependent many-electron Schr\"odinger equation (TDSE) with special emphasis on strong-field ionization phenomena. The theory builds on the configuration-interaction (CI) approach…
The propagation of (massless) scalar, electromagnetic and gravitational waves on fixed Schwarzschild background spacetime is described by the general time-dependent Regge-Wheeler equation. We transform this wave equation to usual…
We investigate the high harmonic generation (HHG) from solids by simulating the dynamics of a single active electron in periodic potentials. The corresponding time-dependent Schr\"odinger equations (TDSE) are solved numerically by using…
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is…
Simulation and analysis of multidimensional dynamics of a quantum non-Hmeritian system is a challenging problem. Gaussian wavepacket dynamics has proven to be an intuitive semiclassical approach to approximately solving the dynamics of…
Recent developments in analog quantum simulators based on cold atoms and trapped ions call for cross-validating the accuracy of quantum-simulation experiments with use of quantitative numerical methods; however, it is particularly…
Gaussian baths are widely used to model non-Markovian environments, yet the cost of accurate simulation at long times remains poorly understood, especially when spectral densities exhibit nonanalytic behavior as in a range of realistic…
We show that a Gaussian Process model can be combined with a small number (of order 100) of scattering calculations to provide a multi-dimensional dependence of scattering observables on the experimentally controllable parameters such as…
Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…
We give a method to solve the time-dependent Schroedinger equation for a system of one-dimensional bosons interacting via a repulsive delta function potential. The method uses the ideas of Bethe Ansatz but does not use the spectral theory…
High order accurate and explicit time-stable solvers are well suited for hyperbolic wave propagation problems. As a result of the complexities of real geometries, internal interfaces and nonlinear boundary and interface conditions,…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
An effective operational approach to quantum mechanics is to focus on the evolution of wave-packets, for which the wave-function can be seen in the semi-classical regime as representing a classical motion dressed with extra degrees of…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…