相关论文: Algebraic tools for dealing with the atomic shell …
In this paper a 4-component Dirac theory of ionization of hydrogen molecular ion in a super-intense laser field is developed. Simple analytic expressions for the spin specific as well as the total ionization currents emitted from the ground…
We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in C++ and can be used to predict frequencies and…
We combine ab initio path integral Monte Carlo (PIMC) simulations with fixed ion configurations from density functional theory molecular dynamics (DFT-MD) simulations to solve the electronic problem for hydrogen under warm dense matter…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
The use of operator methods of algebraic nature is shown to be a very powerful tool to deal with different forms of relativistic wave equations. The methods provide either exact or approximate solutions for various forms of differential…
There is a long-standing puzzle concerning the Coulomb solutions of the Dirac equation, i.e., what is the physics governing the weakly divergent near-the-origin behavior of the Dirac wave functions of the $nS_{1/2}$ hydrogen? As a sequel of…
In strong laser-atom interactions, the Coulomb potential can affect the trajectories of rescattering electron in high-order harmonic generation (HHG). Here, by constructing a semi-analytical Coulomb-included model and comparing it with…
A theoretical study of the intense-field multiphoton ionization of hydrogenlike systems is performed by solving the time-dependent Dirac equation within the dipole approximation. It is shown that the velocity-gauge results agree to the ones…
By considering mirror oscillation in a "tripod-scheme" laser-atom system, we advocate explorative studies of driven Dirac-like equations. Both analytical and numerical studies show that mirror oscillation can be used to drive an effective…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
It is shown the central field Dirac equation can be simplified through the use of real conjugate spinors to substitute for the upper and lower components of the bi-spinor eigensolutions. This substitution reduces the Dirac equation for the…
We derive a quantum kinetic model describing the dynamics of graphene electrons in phase space based on the Wigner--Weyl formalism. To take into account the quantum nature of the carriers, we make use of the quantum Liouville equation for…
By viewing the electron as a wavepacket in the positive energy spectrum of the Dirac equation, we are able to achieve a much clearer understanding of its behavior under weak electromagnetic fields. The intrinsic spin magnetic moment is…
The non-relativistic static and dynamic dipole polarizabilities of hydrogen atom experiencing a cylindrical confinement are investigated. Two methods based on B-Splines are used for the computations of the energies and wavefunctions. The…
A non-linear non-perturbative relativistic atomic theory introduces spin in the dynamics of particle motion. The resulting energy levels of Hydrogen atom are exactly same as the Dirac theory. The theory accounts for the energy due to…
We consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr\"odinger perturbation theory, using the Sturmian…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
We discuss, in a pedagogical way, how to solve for relativistic wave functions from the radial Dirac equations. After an brief introduction, in Section II we solve the equations for a linear Lorentz scalar potential, V_s(r), that provides…