Related papers: Dipole moments from atomic-number-dependent potent…
The most sensitive measurements of the electron electric dipole moment d_e have previously been made using heavy atoms. Heavy polar molecules offer a greater sensitivity to d_e because the interaction energy to be measured is typically 10^3…
In the presence of P,T-violating interactions, the exchange of axion-like particles between electrons and nucleons in atoms and molecules induces electric dipole moments (EDMs) of atoms and molecules. We perform calculations of such…
The electric dipole moments of $(H_{2}O)_{n}DCl$ ($n=3-9$) clusters have been measured by the beam deflection method. Reflecting the (dynamical) charge distribution within the system, the dipole moment contributes information about the…
According to the Schiff theorem the nuclear electric dipole moment (EDM) is screened in neutral atoms. In ions this screening is incomplete. We extend a derivation of the Schiff theorem to ions and molecules. The finite nuclear size effects…
The interaction of the electric and magnetic dipole moments of a particle with the electromagnetic field is investigated in an approach that deals with four-dimensional (4D) geometric quantities. The new commutation relations for the 4D…
The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a…
Together with experimental data, theoretically predicted dipole moments represent a valuable tool for different branches in the chemical and physical sciences. With the diversity of levels of theory and basis sets available, a reliable…
Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the…
It is shown that the dipole moment of polar (water, methanol, formamide, acetone and acetonitrile) molecules in the neighborhood of a cation is increased primarily by polarization from the bare electrostatic charge of the cation, although…
We examine the time-reversal-violating nuclear ``Schiff moment'' that induces electric dipole moments in atoms. After presenting a self-contained derivation of the form of the Schiff operator, we show that the distribution of Schiff…
We consider the effect of the coupled variations of fundamental constants on the nucleon magnetic moment. The nucleon g-factor enters into the interpretation of the measurements of variations in the fine-structure constant, alpha, in both…
Electric dipole moments are extremely sensitive probes for additional sources of CP violation in new physics models. Specifically, they have been argued in the past to exclude new CP-violating phases in two-Higgs-doublet models. Since…
Natural optical activity is the paradigmatic example of an effect originating in the weak spatial inhomogeneity of the electromagnetic field on the atomic scale. In molecules, such effects are well described by the multipole theory of…
The electric dipole moments (EDMs) of diamagnetic atoms are expected to be sensitive to charge-parity violation particularly in nuclei through the nuclear Schiff moment. I explicitly demonstrate that the well-known form of the Schiff moment…
We consider the dissociation limit for molecules of the type $X_2$ in the Kohn-Sham density functional theory setting, where $X$ can be any element with $N$ electrons. We prove that when the two atoms in the system are torn infinitely far…
A HD-like isotopic dipole moment is proposed as a sensible probe for molecular environments, in particular for electrostatic fields and polarizable (reactive) sites of molecules. Fictitious nuclear masses are chosen in order to yield a…
The rapid development of experimental techniques to produce ultracold alkali molecules opens the ways to manipulate them and to control their dynamics using external electric fields. A prerequisite quantity for such studies is the knowledge…
We study how the radiative properties of a dense ensemble of atoms can be modified when they are placed near or between metallic or dielectric surfaces. If the average separation between the atoms is comparable or smaller than the…
A non-empirical exchange functional based on an interpolation between two limits of electron density: slowly varying limit and asymptotic limit, is proposed. In the slowly varying limit, we follow the study by Kleinman in 1984 which…
The electric dipole moment of an electron (eEDM) is one of the sensitive probes of physics beyond the standard model. The possible existence of the eEDM gives rise to an experimentally observed energy shift, which is proportional to the…