Related papers: Atom-centered electric multipole moments dynamical…
Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…
Understanding the agglomeration of dust particles in complex plasmas requires a knowledge of the basic properties such as the net electrostatic charge and dipole moment of the dust. In this study, dust aggregates are formed from gold coated…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic…
Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, that are essential ingredients for probing new physics beyond…
The parity (P) and time-reversal (T) odd coupling constant associated with the tensor-pseudotensor (T-PT) electron-nucleus interaction and the nuclear Schiff moment (NSM) have been determined by combining the result of the measurement of…
In classical electromagnetic theory, one formally defines the complex dipole moment (the electric plus 'i' magnetic dipole) and then computes (and defines) the complex center of charge by transforming to a complex frame where the complex…
Point multipole expansions are widely used to gain physical insight into complex distributions of charges and to reduce the cost of computing interactions between such distributions. However, practical applications that typically retain…
The relativistic theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented. A novel approach using the relativistic coupled-cluster method that incorporates the…
A method is presented which allows the exact construction of conserved (i.e. divergence-free) current vectors from appropriate sets of multipole moments. Physically, such objects may be taken to represent the flux of particles or electric…
It is shown that in the experiments for search of the EDM of an electron (atom, molecule) the T-odd magnetic moment induced by an electric field and the T-odd electric dipole moment induced by a magnetic field will be also measured. It is…
Intrinsic EDMs in microscopic systems at a level of sensitivity achievable in experiments under way or foreseen are predicted in supersymmetric unified theories. I describe this and other sources of measurable EDMs and I show how these…
Rydberg-atom ensembles are switched from a weakly- into a strongly-interacting regime via adiabatic transformation of the atoms from an approximately non-polar into a highly dipolar quantum state. The resultant electric dipole-dipole forces…
Electronic polarization and dispersion are decisive actors in determining interaction energies between molecules. These interactions have a particularly profound effect on excitation energies of molecules in complex environments, especially…
The electric and magnetic dipole moments of the rho meson are calculated using the propagators and vertices derived from the QCD Dyson-Schwinger equations. Results obtained from using the Bethe-Salpeter amplitude studied by Chappell,…
We study integral expressions of electromagnetic multipole moments of arbitrary order in Cartesian coordinates. The volume and surface integrals of charge-induced and current-induced multipole moment tensors are formulated and the…
A computer program is presented by which one may calculate the multiple electric dipole, electric quadrupole and magnetic dipole Coulomb excitation with relativistic heavy ions. The program applies to an arbitrary nucleus, specified by the…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
This study extends the accurate and transferable molecular-orbital-based machine learning (MOB-ML) approach to modeling the contribution of electron correlation to dipole moments at the cost of Hartree-Fock computations. A…
Electronic nearsightedness is one of the fundamental principles governing the behavior of condensed matter and supporting its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of…
The theoretical investigations on electrorheological (ER) fluids are usually concentrated on monodisperse systems. Real ER fluids must be polydisperse in nature, i.e., the suspended particles can have various sizes and/or different…