Related papers: High-accuracy Nuclear Spin Dependent Parity Violat…
We employ the $Z$-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (${\mathcal{P}}$) and time-reversal (${\mathcal{T}}$) symmetry violating scalar-pseudoscalar (S-PS) nucleus-electron…
We discuss experiments aimed at measurements of atomic parity nonconservation (PNC) effects in the 1S0-3D1 transition (408 nm) in atomic Ytterbium (Z=70). According to theoretical predictions, the PNC-induced E1 amplitude of this transition…
We employ an all-particle multireference Fock-space relativistic coupled-cluster (FSRCC) theory to compute the ionization potential, excitation energy, transition rate and hyperfine structure constants associated with…
Relativistic many-body methods at different levels of approximations are employed to gain insights into the passage of the electron correlations from lower to higher levels in the accurate determination of the electric dipole polarizability…
Measurements of nuclear spin-dependent parity-violating (NSD-PV) effects provide an excellent opportunity to test nuclear models and to search for physics beyond the Standard Model. Molecules possess closely-spaced states with opposite…
It is known that the nuclear-spin-dependent parity-violating contributions to the NMR shielding and the nuclear spin-rotation tensors (${\bf \sigma}^{PV}$ and ${\bf M}^{PV}$, respectively) are formally related each other within the…
Density functional theory is a preferred microscopic method for calculation of nuclear properties over the whole nuclear chart. Besides ground-state properties, which are calculated by Hartree-Fock theory, nuclear excitations can be…
Motivated by recent measurements for several alkali-metal atoms and alkali-metal-like ions, we perform a detailed study of electric dipole (E1) transition amplitudes in K, Ca+, Rb, Sr+, Cs, Ba+, Fr, and Ra+, which are of interest for…
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCSD) theory for static and dynamic polarizabilities of atoms…
The random phase approximation (RPA) systematically overestimates the magnitude of the correlation energy and generally underestimates cohesive energies. This originates in part from the complete lack of exchange terms, which would…
The complete gauge-invariant set of the one-loop QED corrections to the parity-nonconserving (PNC) amplitude in cesium and francium is evaluated to all orders in $\alpha Z$ using a local form of the Dirac-Fock potential. The calculations…
We provide for the first time accurate assessments of the consequences of violations of self-consistency in the Hartree-Fock based random phase approximation (RPA) as commonly used to calculate the energy $E_c$ of the nuclear breathing…
Parity-violating energies $E_{PV}$ of the $H_2X_2$ X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimized basis…
Nuclear spin-dependent parity violation arises from weak interactions between electrons and nucleons, and from nuclear anapole moments. We outline a method to measure such effects, using a Stark-interference technique to determine the…
We report rigorous calculations of electric dipole moment (EDM) in $^{225}$Ra due to parity and time-reversal violating tensor-pseudotensor (T-PT) and nuclear Schiff moment (NSM) interactions between the electrons and nucleus by employing…
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…
Dynamic nuclear polarisation (DNP) refers to a class of techniques used to increase the signal in nuclear magnetic resonance measurements by transferring spin polarisation from ensembles of highly polarised electrons to target nuclear…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
Many-body calculation of nuclear spin-dependent parity-nonconserving amplitude for (7s,F=4) --> (7s,F=5) transition between hyperfine sublevels of the ground state of $^{211}$Fr is carried out. The final result is <7s,F=5 ||d_PNC|| 7s,F=4>…
Hyperfine structures of $^{211}$Fr due to the interactions of magnetic dipole ($\mu$), electric quadrupole ($Q$) and magnetic octupole ($\Omega$) moments with the electrons are investigated using the relativistic coupled-cluster (RCC)…