Related papers: Gaussians for Electronic and Rovibrational Quantum…
In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…
Measurements of elastic electron scattering data within the past decade have highlighted two-photon exchange contributions as a necessary ingredient in theoretical calculations to precisely evaluate hydrogen elastic scattering cross…
A linear quantum dynamical theory for squeezing the output of the trapped Bose-Einstein condensate is presented with the Bogoliubov approximation. We observe that the non-classical properties, such as sub-Poisson distribution and quadrature…
Feshbach resonances in ultra-cold atomic gases have led to some of the most important advances in atomic physics. They did not only enable ground breaking work in the BEC-BCS crossover regime [1], but are also widely used for the…
Waveguide quantum electrodynamics (QED) provides a powerful framework for engineering quantum interactions, traditionally relying on periodic photonic arrays with continuous energy bands. Here, we investigate waveguide QED in a…
We show that the complete photoemission dynamics in situations of electron-ion entanglement can be retrieved from photoelectron spectral measurements without information on the ion. To this end, we develop an energy-time analysis of the…
We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…
The dynamical behavior of entanglement between the atomic ensemble and the spontaneous emission is investigated by applying the femtosecond Gaussian pulses in double- lambda quantum system. In fact by solving the density matrix equations of…
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…
We analyze the attosecond electron dynamics in hydrogen molecular ion driven by an external intense laser field using ab-initio numerical simulations of the corresponding time-dependent Schr{\"{o}}dinger equation and Bohmian trajectories.…
The Born-Oppenheimer (BO) approximation has shaped our understanding on molecular dynamics microscopically in many physical and chemical systems. However, there are many cases that we must go beyond the BO approximation, particularly when…
The nuclear quadrupole collective states at low excitation energies are described in a novel, fully quantum mechanical and systematic manner as compared to traditional pictures initiated by Aage Bohr. The ellipsoidal shapes are shown to be…
Previous models of the quantum regime of operation of the Free Electron Laser (QFEL) have performed an averaging and the application of periodic boundary conditions to the coupled Maxwell - Schrodinger equations over short, resonant…
Basics of the Born-Oppenheimer (B-O) approximation are reviewed. Assuming the domain of applicability of B-O approximation is limited to 4 significant digits (s.d.) in energy spectrum, where mass, relativistic and QED corrections do NOT…
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…
Revivals of optical coherence of molecular photoassociation driven by two ultrashort laser pulses are addressed in the Condon approach. Based on textbook examples and numerical simulation of KrF excimer molecules, a prediction is made about…
Developing an analytical theory for atomic coherence driven by ultrashort laster pulses has proved to be challenging due to the breakdown of the rotating wave approximation (RWA). In this paper, we present an approximate, closed-form…
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…
This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is…
The induction of dc electronic transport in rigid and flexible trans-polyacetylene oligomers according to the $\omega$ vs. $2\omega$ coherent control scenario is investigated using a quantum-classical mean field approximation. The approach…