Related papers: Bohmian mechanics in the exact factorization of el…
Within the nuclear-electronic orbital (NEO) framework, the real-time NEO time-dependent density functional theory (RT-NEO-TDDFT) approach enables the simulation of coupled electronic-nuclear dynamics. In this approach, the electrons and…
Square billiards are quantum systems complying with the dynamical quantum-classical correspondence. Hence an initially localized wavefunction launched along a classical periodic orbit evolves along that orbit, the spreading of the quantum…
We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact…
The trajectory of motion of a scattering electron in the Coulomb potential from the wave function of the Schroedinger equation is presented in two ways, spherical polar coordinates and Temple coordinates, and is compared with each other and…
In parallel with the evolution of femtosecond and attosecond laser as well as free-electron laser technology, a variety of theoretical methods have been developed to describe the behavior of atoms, molecules, clusters, and solids under the…
We present an exact single-electron picture that describes the correlated electron dynamics in strong laser fields. Our approach is based on the factorization of the electronic wavefunction as a product of a marginal and a conditional…
Quantum hydrodynamics is a formulation of quantum mechanics based on the probability density and flux (current) density of a quantum system. It can be used to define trajectories which allow for a particle-based interpretation of quantum…
We derive an exact analytical expression at stroboscopic intervals for the time-dependent wave function of a class of integrable quantum many-body systems, driven by the periodic delta-kick protocol. To investigate long-time dynamics, we…
In a fully classical simulation, we investigate the recollision mechanism of non-sequential double ionization (NSDI) and its manifestation in the end-of-pulse electron momentum distributions. We compare two different electron-electron…
Bohmian mechanics, a hydrodynamic formulation of quantum mechanics, relies on the concept of trajectory, which evolves in time in compliance with dynamical information conveyed by the wave function. Here this appealing idea is considered to…
The numerical analysis of the diffraction features rendered by transmission electron microscopy (TEM) typically relies either on classical approximations (Monte Carlo simulations) or quantum paraxial tomography (the multislice method and…
Modern electronic structure theory is built around the Born-Oppenheimer approximation and the construction of an electronic Hamiltonian H_{el}(X) that depends on the nuclear position X (and not the nuclear momentum P). In this article,…
The structure of approximate two electron wavefunction is deeply investigated, both theoretically and numerically, in the strong-field driven ionization dynamics. Theoretical analyses clarify that for two electron singlet systems, the…
The classical dynamics of a charged particle traveling in a laser field modeled by an elliptically polarized monochromatic electromagnetic plane wave is discussed within the time reparametrization invariant form of the non-relativistic…
Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…
The direct solution of the many-particle Schr\"odinger equation is computationally inaccessible for more than very few electrons. In order to surpass this limitation, one of the authors [X. Oriols, Phys. Rev. Lett. 2007, 98 (066803)] has…
A nonlinear quantum-classical transition wave equation is proposed for dissipative systems within the Caldirola-Kanai model. Equivalence of this transition equation to a scaled Schr\"{o}dinger equation is proved. The dissipative dynamics is…
Although nuclear fission can be understood qualitatively as an evolution of the nuclear shape, a quantitative description has proven to be very elusive. In particular, until now, there exists no model with demonstrated predictive power for…
We consider the classical limit of quantum mechanics in terms of Bohmian trajectories. For wave packets as defined by Hagedorn we show that the Bohmian trajectories converge to Newtonian trajectories in probability.
The present work explores quantitative limits to the Single-Active Electron (SAE) approximation, often used to deal with strong-field ionization and subsequent attosecond dynamics. Using a time-dependent multi\-configuration approach,…