相关论文: Molecular electric moments calculated by using nat…

We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic…

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

The electric dipole moments (EDMs) of neutron-odd nuclei with even protons are systematically evaluated. We first derive the relation between the EDM and the magnetic moment operators by making use of the core polarization scheme. This…

Within the nuclear DFT framework, employing the Skyrme UNEDF1 functional and incorporating pairing correlations, we determined the spectroscopic electric quadrupole and magnetic dipole moments of the $\nu11/2^{-}$ and $\pi7/2^{+}$…

Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the…

We set up the framework for the calculation of electric dipole moments (EDMs) of light nuclei using the systematic expansion provided by chiral effective field theory (EFT). We take into account parity (P) and time-reversal (T) violation…

The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…

Within nuclear DFT, we calculated spectroscopic magnetic dipole and electric quadrupole moments for various quasiparticle configurations of odd-$N$, even-$Z$, $83\leq{}N\leq125$ nuclei ranging from gadolinium to osmium. By tagging the…

We revisited the electronic structure parameters used to interpret the hyperfine structure of neutral polonium. We used a computational scheme that treats relativistic and high-order electronic correlation effects within the coupled cluster…

We present a data-driven approach for the prediction of the electric dipole moment of diatomic molecules, which is one of the most relevant molecular properties. In particular, we apply Gaussian process regression to a novel dataset to show…

We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\hat{\rm{z}}$ direction…

Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory and configuration interaction technique. We…

We utilize the gradient flow to define and calculate electric dipole moments induced by the strong QCD $\theta$-term and the dimension-6 Weinberg operator. The gradient flow is a promising tool to simplify the renormalization pattern of…

An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…

We are pursuing an experiment to measure the electric dipole moment of the electron using the molecule PbO. This measurement requires the ability to prepare quantum states with orientation of the molecular axis and, simultaneously,…

The electric quadrupole moment of $^{49}$Sc was measured by collinear laser spectroscopy at CERN-ISOLDE to be $Q_{\rm s}=-0.159(8)$ $e$b, and a nearly tenfold improvement in precision was reached for the electromagnetic moments of…

The analytic energy gradients with respect to nuclear motion are derived for natural orbital functional (NOF) theory. The resulting equations do not require to resort to linear-response theory, so the computation of NOF energy gradients is…

This paper is a theoretical work in support of a newly proposed experiment (R. Stutz and E. Cornell, Bull. Am. Soc. Phys. 89, 76 2004) that promises greater sensitivity to measurements of the electron's electric dipole moment (EDM) based on…

The self-consistent Theory of Finite Fermi Systems based on the Energy Density Functional by Fayans et al. with the set DF3-a of parameters fixed previously is used to calculate three kinds of quadrupole moments. At first, we examined…

Magnetic moments of more than one hundred odd-odd spherical nuclei in ground and excited states are calculated within the self-consistent TFFS based on the EDF method by Fayans {\it et al}. We limit ourselves to nuclei with a neutron and a…