Related papers: Accurate biomolecular simulations account for elec…
The switching of electric polarization induced by electric fields -a fundamental functionality of ferroelectrics- is closely associated with the motions of the domain walls that separate regions with distinct polarization directions.…
This study considers electronic transitions within donor-acceptor complexes dissolved in media with macroscopic polarization. The change of the polarizability of the donor-acceptor complex in the course of electronic transition couples to…
Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore,…
The ionization of two-active-electron systems by intense laser fields is investigated theoretically. In comparison with time-dependent Hartree-Fock and exact two electron simulation, we show that the ionization rate is overestimated in SAE…
Although a great number of computational models of water are available today, the majority of current biological simulations are done with simple models, such as TIP3P and SPC, developed almost thirty years ago and only slightly modified…
The photon-induced process of electron-positron pair creation in a strong homogeneous magnetic field, provided that the polarization of particles is arbitrary, has been considered. The polarization of a photon is described in terms of the…
When the weak-forces producing parity-violating effects are taken into account, there is a tiny energy difference between the total electronic energies of two enantiomers ($\Delta E_{PV}$), which might be the key to understand the evolution…
The article outlines the recent developments in the theoretical and computational approaches to the higher-order electroweak effects needed for the accurate interpretation of MOLLER and Belle II experimental data, and shows how new-physics…
We show that the electric dipole-dipole interaction between a pair of polar molecules undergoes an all-out transformation when superimposed by a far-off resonant optical field. The combined interaction potential becomes tunable by variation…
The motion of a eukaryotic cell presents a variety of interesting and challenging problems from both a modeling and a computational perspective. The processes span many spatial scales (from molecular to tissue) as well as disparate time…
Dielectrically confined Coulomb systems are widely employed in molecular dynamics (MD) simulations. Despite extensive efforts in developing efficient and accurate algorithms for these systems, rigorous and accurate error estimates, which…
Attosecond chemistry involves developing strategies to manipulate electronic coherent waves in molecules, which can influence the outcome of photoinduced reactions. While recent progress in this field calls for investigations of…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
Correlated motions of proteins underpin many physiological mechanisms, such as substrate binding, signal transduction, enzymatic activity and allostery. These motions arise from low frequency collective movements of biomolecules and have…
Electrodynamics is usually written with a polarization vector field to describe the response of matter to electric fields, or more specifically, to describe changes in distribution of charge as an electric field is changed. This approach…
Recent experiments on ultracold non-reactive dipolar molecules have observed high two-body losses, even though these molecules can undergo neither inelastic, nor reactive (as they are in their absolute ground state), nor light-assisted…
We study the influence of polarization effects in streaking by combined atto- and femtosecond pulses. The polarization-induced terms alter the streaking spectrum. The normal streaking spectrum, which maps to the vector potential of the…
Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The…
The real and imaginary parts of the susceptibility are fundamentally associated with the molecular dispersion and absorption, respectively. Measurement of the molecular dispersion has given insight into underlying molecular dynamics such as…