Related papers: Theoretical study of HfF$^+$ for the electron EDM …
Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…
Electric field gradients (EFG's) were calculated for the $CeIn_3$ compound at both $^{115}In$ and $^{140}Ce$ sites. The calculations were performed within the density functional theory (DFT) using the augmented plane waves plus local…
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$…
Due to the complex interactions between rare-earth elements and transition metals, as well as/or themselves, rare-earth transition-metal oxides are likely to exhibit highly intriguing and novel magnetic structures and dynamic behaviours.…
The ACME collaboration has recently reported a new bound on the electric dipole moment (EDM) of the electron, $|d_e|< 1.1 \times 10^{-29}\, {\rm e\cdot cm}$ at 90$\%$ confidence level, reaching an unprecedented accuracy level. This can…
Accurate absolute level energies of the $B\,^1\Sigma^{+}_{u}$, $v=0-8, N$ and $EF\,^{1}\Sigma^{+}_{g}$, $v=0-21, N$ rovibrational quantum states of molecular deuterium are derived by combining results from a Doppler-free two-photon laser…
We present progress towards a new measurement of the electron electric dipole moment using a cold supersonic beam of YbF molecules. Data are currently being taken with a sensitivity of $10^{-27}\textrm{e.cm}/\sqrt{\textrm{day}}$. We…
Based on data samples collected with the BESIII detector at the BEPCII collider, the process $e^{+}e^{-} \to \Sigma^{+}\bar{\Sigma}^{-}$ is studied at center-of-mass energies $\sqrt{s}$ = 2.3960, 2.6454, and 2.9000 GeV. Using a fully…
Time-resolved emission, excitation as well as emission decay curves of CaF$_2$, SrF$_2$, BaF$_2$ doped with HoF$_3$ were investigated. Most intensive emission bands near 168 nm, having long decay time, belong to spin-forbidden transitions…
Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure…
Experiments with paramagnetic ground or metastable excited states of molecules (ThO, HfF$^+$, YbF, YbOH, BaF, PbO, etc.) provide strong constraints on electron electric dipole moment (EDM) and coupling constant $C_{SP}$ of contact…
This paper reports NMR measurements of the magnetic dipole moments of two high-K isomers, the 37/2$^-$, 51.4 m, 2740 keV state in $^{\rm 177}$Hf and the 8$^-$, 5.5 h, 1142 keV state in $^{\rm 180}$Hf by the method of on-line nuclear…
We have calculated the ground state electronic structure of He under pressure from 0 to 1500 GPa using both all-electron full-potential and pseudopotential methods based on the density functional theory (DFT). We find that throughout this…
The pressure-induced phase transition, elasticity behavior, thermodynamic properties, and $P\mathtt{-}T$ phase diagram of $\alpha$, $\omega$, and $\beta$ equiatomic HfTi alloy are investigated using first-principles density-functional…
The H+LiF(X 1Sigma+,v=0-2,j=0)-->HF(X 1Sigma+,v',j')+Li(2S) bimolecular process is investigated by means of quantum scattering calculations on the chemically accurate X 2A' LiHF potential energy surface of Aguado et al. [J. Chem. Phys. 119,…
We discuss a search for the electric dipole moment (EDM) of a light beta-radioactive ion using a compact ion trap by adapting the "frozen-spin" method. The measurement will be done on ions stripped of their valence electrons, thereby…
We perform model-independent analyses extracting limits for the electric dipole moment of the electron and the P,T-odd scalar-pseudoscalar (S-PS) nucleon-electron coupling from the most recent measurements with atoms and molecules. The…
The electric dipole moment of the electron (eEDM) can be measured with high precision using heavy polar molecules. In this paper, we report on a series of new techniques that have improved the statistical sensitivity of the YbF eEDM…
It has been shown that the crystal-field interactions can produce a non- magnetic singlet ground state for the highly-correlated d6 system situated in the quasi-octahedral crystal field (CEF) surrounding provided the spin-orbit interactions…
We demonstrate that several metastable excited states in Hf$~$II, Hf$~$IV and W$~$VI ions may be good clock states since they are sufficiently long-living and are not sensitive to the perturbations. Cooling E1 transitions are available.…