Related papers: Study of a confined Hydrogen-like atom by the Asym…
Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…
The system of a proton and an electron in an inert and impenetrable spherical cavity is studied by solving Schr\"{o}dinger equation with the correct boundary conditions. The differential equation of a hydrogen atom in a cavity is derived.…
An averaging method for getting uniformly valid asymptotic approximations of the solution of hyperbolic systems of equations is presented. The averaged system of equations disintegrates into independent equations for non-resonance systems.…
The multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis is done on methane, ethylene, acetylene and benzene as selected basic hydrocarbons. This is the first report on applying the MC-QTAIM analysis on polyatomic…
The main goal of this work is to solve the nonrelativistic wave equation for a new potential configuration that describes the quantum states of a particle that lies within a onedimensional infinite well of width L using the Asymptotic…
In this study, we present analytical solutions of the Schr\"odinger equation with the Multiparameter potential containing the different types of physical potential via the asymptotic iteration method (AIM) by applying a Pekeris-type…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
We study kinetic models of reversible enzyme reactions and compare two techniques for analytic approximate solutions of the model. Analytic approximate solutions of non-linear reaction equations for reversible enzyme reactions are…
Surface integral equation (SIE) methods are of great interest for the efficient electromagnetic modeling of various devices, from integrated circuits to antenna arrays. Existing acceleration algorithms for SIEs, such as the adaptive…
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
We apply the asymptotic iteration method (AIM) to obtain the solutions of Schrodinger equation in the presence of Poschl-Teller (PT) potential. We also obtain the solutions of Dirac equation for the same potential under the condition of…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
A numerical algorithm based on the probabilistic path integral approach for solving Schroedinger equation has been devised to treat molecular systems without Born-Oppenheimer approximation in the non relativistic limit at zero temperature…
Several methods exist for finding ground (as well as excited) states of nonlinear waves equations. In this paper we first introduce two modifications of the so-called accelerated imaginary-time evolution method (AITEM). In our first…
The hierarchical equations of motion (HEOM) approach is an accurate method to simulate open system quantum dynamics, which allows for systematic convergence to numerically exact results. To represent the effects of the bath, the reservoir…
A general and rigorous methodology to compute the quantum equilibrium isotope effect is described. Unlike standard approaches, ours does not assume separability of rotational and vibrational motions and does not make the harmonic…
The differential probability of the process of Compton ionization of a hydrogen atom by a cylindrical electromagnetic wave is calculated taking into account the finite size of the target, which resulted in the appearance of a dependence of…
Fisher information (I) is investigated for confined hydrogen atom (CHA)-like systems in conjugate $r$ and $p$ spaces. A comparative study between CHA and free H atom (with respect to $I$) is pursued. In many aspects, inferences in CHA are…
By using the Pekeris approximation, the Schr\"{o}dinger equation is solved for the nuclear deformed Woods-Saxon potential within the framework of the asymptotic iteration method (AIM). The energy levels are worked out and the corresponding…
We present a comprehensive study of the discretized modes of an atomic gas in different conditions of confinement. Starting from the equations of hydrodynamics we derive a closed equation for the velocity field, depending on the adiabatic…