Related papers: Multidimensional quantum dynamics with explicitly …
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…
We introduce non-equilibrium molecular hydrogen chemistry into the radiation hydrodynamics code Ramses-RT. This is an adaptive mesh refinement grid code with radiation hydrodynamics that couples the thermal chemistry of hydrogen and helium…
The radiation hydrodynamics equations for smoothed particle hydrodynamics are derived by operator splitting the radiation and hydrodynamics terms, including necessary terms for material motion, and discretizing each of the sets of equations…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
The exactly solvable quantum many-particle model with harmonic one- and two-particle interaction terms is extended to include time-dependency. We show that when the external trap potential and finite-range interparticle interaction have a…
We develop a time-dependent multi-group multidimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids involved in, e.g., gamma-ray bursts and active galactic nuclei.…
The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the…
In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…
It is virtually impossible to directly solve the Schr\"odinger equation for a many-electron wave function due to the exponential growth in degrees of freedom with increasing particle number. The two-body reduced density matrix (2-RDM)…
We show that the stochastic dynamics of a large class of one-dimensional interacting particle systems may be presented by integrable quantum spin Hamiltonians. Generalizing earlier work \cite{Stin95a,Stin95b} we present an alternative…
An analytical approach to quantum mechanical wave packet dynamics of laser-driven particles is presented. The time-dependent Schroedinger equation is solved for an electron exposed to a linearly polarized plane wave of arbitrary shape. The…
The radiative transfer equation (RTE) is a cornerstone for describing the propagation of electromagnetic radiation in a medium, with applications spanning atmospheric science, astrophysics, remote sensing, and biomedical optics. Despite its…
The hydrogen atom is a system amenable to an exact treatment within Schroedinger's formulation of quantum mechanics according to coordinates in four systems -- spherical polar, paraboloidal, ellipsoidal and spheroconical coordinates; the…
Thermal Radiative Transfer (TRT) is the dominant energy transfer mechanism in high-energy density physics with applications in inertial confinement fusion and astrophysics. The stiff interactions between the material and radiation fields…
A propagator for the one dimensional time-dependent Schr\"odinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and…
In this research work, we investigate the 2D Schrodinger equation with improved ultra-generalized exponential-hyperbolic potential (IUGE-HP) is scrutinized taking into consideration the effects external magnetic and Aharanov-Bohm (AB)…
We analyze the properties of particles trapped in three-dimensional potentials formed from superimposed Gaussian beams, fully taking into account effects of potential anharmonicity and non-separability. Although these effects are negligible…
The Variational Gaussian wavepacket (VGW) method is an alternative to Path Integral Monte-Carlo (PIMC) for the computation of thermodynamic properties of many-body systems at thermal equilibrium. It provides a direct access to the thermal…
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during the atom surface collision. In our previous work (J.Chem.Phys \textbf{159},…
We simulate the time-dependent coherent dynamics of a spatially indirect exciton (an electron-hole pair with the two particles confined in different layers) in a GaAs coupled quantum well system. We use a unitary wave-packet propagation…