Related papers: Density-based one-dimensional model potentials for…
We theoretically study multielectron effects in high-harmonic generation (HHG), using all-electron first-principles simulations for a one-dimensional (1D) model atom. In addition to usual plateau and cutoff (from a cation in the present…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
A one dimensional model of the magnetic multipole volume plasma source has been developed for use in intense ion/neutral atom beam injectors. The model uses plasma transport coefficients for particle and energy flow to create a detailed…
Neural network potentials (NNPs) enable large-scale molecular dynamics (MD) simulations of systems containing >10,000 atoms with the accuracy comparable to ab initio methods and play a crucial role in material studies. Although NNPs are…
Electrons in strong magnetic fields can be described by one-dimensional models in which the Coulomb potential and interactions are replaced by regularizations associated with the lowest Landau band. For a large class of models of these…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
We present a simple interpolation formula using dimensional limits $D=1$ and $D=\infty$ to obtain the $D=3$ ground-state energies of atoms and molecules. For atoms, these limits are linked by first-order perturbation terms of…
We formulate a general three-dimensional semiclassical model for the study of correlated multielectron escape during fragmentation of molecules driven by intense infrared laser pulses, while fully accounting for the magnetic field of the…
The one-electron Li-containing Coulomb systems of atomic type $(li, e)$ and molecular type $(li, li, e)$, $(li, \alpha, e)$ and $(li, p, e)$ are studied in the presence of a strong magnetic field $B \leq 10^{7}$ a.u. in the non-relativistic…
A model of the collisional kinetics of energetic hydrogen atoms, molecules, and ions in pure H$_2$ discharges is used to predict H$_\alpha$ emission profiles and spatial distributions of emission from the cathode regions of low-pressure,…
An accurate model of a vertical pillar quantum dot is described. The full three dimensional structure of the device containing the dot is taken into account and this leads to an effective two dimensional model in which electrons move in the…
Using techniques of effective field theory, we consider the thermodynamical properties of a dilute two-dimensional plasma interacting via a $1/r$ potential. The first one-loop correction to the partition function is already logarithmically…
We consider the interaction of hydrogen-like atoms with a strong laser field and show that the strong field approximation and all its variants may be grouped into a set of families of approximation schemes. This is done by introducing an…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
We evaluate exactly the statistical integral for an inhomogeneous one-dimensional counterion-only Coulomb gas between two charged boundaries and from this compute the effective interaction, or disjoining pressure, between the bounding…
Molecules and atomic highly charged ions provide powerful low-energy probes of the fundamental laws of physics: Polar molecules possess internal fields suitable to enhance fundamental symmetry violation by several orders of magnitudes,…
We investigate the effect of dynamic electron correlation on high-harmonic generation in helium atoms using intense visible light (\lambda=390nm). Two complementary approaches are used which account for correlation in an approximate manner:…
Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…
The stated overarching goal of the highly active field of quantum simulation of high-energy physics (HEP) is to achieve the capability to study \textit{ab-initio} real-time microscopic dynamics of $3+1$D quantum chromodynamics (QCD).…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…