366 citations · 539 across the 9 of their papers we have counts for
9 papers
-violation sensitivity of closed-shell radium-containing polyatomic molecular ions
Konstantin Gaul, Nicholas R. Hutzler, Phelan Yu +3
Closed-shell atoms and molecules such as Hg or TlF provide some of the best low-energy tests of hadronic -violation which is considered to be a necessary ingredient t…
Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo
Christian Tantardini, Miroslav Iliaš, Matteo Giantomassi +3
In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included mater…
Nuclear spin-dependent parity-violating effects in light polyatomic molecules
Yongliang Hao, Petr Navrátil, Eric B. Norrgard +5
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…
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, Andre Severo Pereira Gomes +24
DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including ran…
Hyperfine structure constants on the relativistic coupled cluster level with associated uncertainties
Pi A. B. Haase, Ephraim Eliav, Miroslav Iliaš +1
Accurate predictions of hyperfine structure (HFS) constants are important in many areas of chemistry and physics, from the determination of nuclear electric and magnetic moments to…
The nuclear anapole moment interaction in BaF from relativistic coupled cluster theory
Yongliang Hao, Miroslav Ilias, Ephraim Eliav +3
We present high accuracy relativistic coupled cluster calculations of the P-odd interaction coefficient describing the nuclear anapole moment effect on the molecular electron…
Relativistic study of the nuclear anapole moment effects in diatomic molecules
A. Borschevsky, M. M. Iliaš, V. A. Dzuba +2
Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density functional theory and accounting fo…
Nuclear-spin dependent parity violation in diatomic molecular ions
A. Borschevsky, M. Iliaš, V. A. Dzuba +3
Nuclear-spin-dependent (NSD) parity violating (PV) effects can be strongly enhanced in diatomic molecules containing heavy atoms. Future measurements are anticipated to provide nuc…
Relativistic ab initio calculations of the P-odd interaction constant W_A in diatomic molecules
A. Borschevsky, M. Ilias, V. A. Dzuba +3
We present ab initio calculations of the parameter of the P-odd spin-rotational Hamiltonian for a variety of diatomic molecules, including the group--2 and --12 halides. The…