相关论文: Molecular electric moments calculated by using nat…
We investigate the merits of a measurement of the permanent electric dipole moment of the electron ($e$EDM) with barium monofluoride molecules, thereby searching for phenomena of CP violation beyond those incorporated in the Standard Model…
The electric quadrupole and magnetic octupole moments of the light decuplet baryons are calculated in the framework of the light cone QCD sum rules. The obtained non-vanishing values for the electric quadrupole and magnetic octupole moments…
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…
The energy shift in molecular spectra due to interaction of nuclear magnetic quadrupole moment ($M$) with electrons is equal to $\delta E_M = MW_M P_{ M}$, where $W_M$ is a constant determined by the electronic structure of the molecule and…
Molecules with an odd number of electrons typically display paramagnetic behaviour in a uniform magnetic field. Single-molecule toroics -- a family of open shell lanthanide complexes -- instead display an unprecedented vanishing…
We calculate the electric dipole moment (EDM) of the nuclei $^7$Li and $^{11}$B in the cluster model with $\alpha$ ($^4$He) and triton ($^3$H) clusters as degrees of freedom. The $^7$Li and $^{11}$B nuclei are treated in the two- and…
Nuclear spins and precise values of the magnetic dipole and electric quadrupole moments of the ground-states of neutron-rich $^{76-78}$Cu isotopes were measured using the Collinear Resonance Ionization Spectroscopy (CRIS) experiment at…
Magnetic dipole ($M1$) moments in nuclei neighboring the doubly-magic core are investigated by the self-consistent mean-field (SCMF) approaches that allow for the breaking of the time-reversal symmetry. By the SCMF calculations with the…
Molecular vibrations are increasingly seen as a key factor for spin dynamics in single-ion magnets and molecular spin qubits. Herein we show how an inexpensive combination of molecular dynamics calculations and a crystal field analysis can…
Calculations of the BaF-Ar triatomic system are performed with a relativistic Hamiltonian and coupled cluster theory at the CCSD(T) level for 1386 positions of the Ar atom relative to the BaF molecule. Calculations are repeated with…
Electric deflection measurements on liquid helium nanodroplets doped with individual polar molecules demonstrate that the cold superfluid matrix enables full orientation of the molecular dipole along the external field. This translates into…
We develop an analytic-gradient based method for relativistic coupled-cluster calculations of effective electric field, $\mathcal{E}_{\text{eff}}$, with improved efficiency and robustness over the previous state of the art. The enhanced…
We examine the potential-energy curves and polarization of the dipole moments of two static polar molecules under the influence of an external dc electric field and their anisotropic dipole-dipole interaction. We model the molecules as…
Four types of atomic-scale multipoles, electric, magnetic, magnetic toroidal, and electric toroidal multipoles, give a complete set to describe arbitrary degrees of freedom for coupled charge, spin, and orbital of electrons. We here present…
We calculate the magnetic moments of light nuclei ($A < 20$) using the auxiliary field diffusion Monte Carlo method and local two- and three-nucleon forces with electromagnetic currents from chiral effective field theory. For all nuclei…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
We calculate the nucleon electric dipole moment (EDM) from the $\theta$ term with overlap fermions on three domain wall lattices with different sea pion masses at lattice spacing 0.11 fm. Due to the chiral symmetry conserved by the overlap…
The permanent electric dipole moment of the X 2 {\Sigma}+ electronic ground state of the strontium monofluoride molecule is calculated using a relativistic coupled cluster method. Our result is compared with those of other calculations and…
Collective P- and T- odd moments produced by parity and time invariance violating forces in reflection asymmetric nuclei are considered. The enhanced collective Schiff, electric dipole and octupole moments appear due to the mixing of…
A molecular description for magic-number configurations of interacting electrons in a quantum dot in high magnetic fields developed by one of the authors has been elaborated for four, five and six electron dots. For four electrons, the…