Related papers: A grid-based Ehrenfest model to study electron-nuc…
We develop a novel approach to the coupled motion of electrons and ions that focuses on the dynamics of the electronic subsystem. Usually the description of electron dynamics involves an electronic Schr\"odinger equation where the nuclear…
In this paper, a quantum dot mathematical model based on a two-dimensional Schr\"odinger equation assuming the 1/r inter-electronic potential is revisited. Generally, it is argued that the solutions of this model obtained by solving a…
We find that the quantum-classical correspondence in integrable systems is characterized by two time scales. One is the Ehrenfest time below which the system is classical; the other is the quantum revival time beyond which the system is…
It is known that the usual form of the Ehrenfest theorem (ET), which couples the motion of the center of mass (COM) of the one-dimensional (1D) wave function to the respective classical equation of motion, is not valid in the case of the…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
Describing the Coulomb interactions between electrons in atomic or molecular systems is an important step to help us obtain accurate results for the different observables in the system. One convenient approach is to separate the dynamic…
We consider a discrete model of euclidean quantum gravity in four dimensions based on a summation over random simplicial manifolds. The action used is the Einstein-Hilbert action plus an $R^2$-term. The phase diagram as a function of the…
A field-theoretic formulation of the exponential-operator technique is applied to a nonperturbative Hamiltonian eigenvalue problem in electrodynamics, quantized in light-front coordinates. Specifically, we consider the dressed-electron…
We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model the exact Coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable…
The limit relations for the partial derivatives of the two-electron atomic wave functions at the two-particle coalescence lines have been obtained numerically using accurate CFHHM wave functions. The asymptotic solutions of the proper…
A clear understanding of the mechanisms that control the electron dynamics in strong laser field is still a challenge that requires to be interpreted by advanced theory. Development of accurate theoretical and computational methods, able to…
There is no fundamental limit to the precision of a classical measurement. The position of a meter's needle can be determined with an arbitrarily small uncertainty. In the quantum realm, however, fundamental quantum fluctuations due to the…
The time-dependent quantum system of two laser-driven electrons in a harmonic oscillator potential is analysed, taking into account the repulsive Coulomb interaction between both particles. The Schrodinger equation of the two-particle…
We discuss nuclear dynamics at molecule-metal interfaces including non-equilibrium molecular junctions. Starting from the many-body states (pseudoparticle) formulation of the molecule-metal system in the molecular vibronic basis, we…
Application of the time-dependent variational principle to a linear combination of frozen-width Gaussians describing the nuclear wavefunction provides a formalism where the total energy is conserved. The computational downside of this…
By using numerical and semiclassical methods, we evaluate the quantum breaking, or Ehrenfest time for a wave packet localized around classical equilibrium points of autonomous one-dimensional systems with polynomial potentials. We find that…
Electron assisted neutron exchange process in solid state environment is investigated. It is shown that if a metal is irradiated with free electrons then the $e+$ $_{Z}^{A_{1}}X+$ $_{Z}^{A_{2}}X\rightarrow e^{\prime }+$ $%_{Z}^{A_{1}-1}X+$…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
We present a theory of molecular motors based on the Ehrenfest dynamics for the nuclear coordinates and the adiabatic limit of the Kadanoff-Baym equations for the current-induced forces. Electron-electron interactions can be systematically…
Bound state properties of few single and double-$\Lambda$ hypernuclei is critically examined in the framework of core-$\Lambda$ and core+$\Lambda+\Lambda$ few-body model applying hyperspherical harmonics expansion method (HHEM). The…