Related papers: Nuclear Moments and Electron Density Functionals i…

Within the nuclear DFT approach, we determined the magnetic dipole and electric quadrupole moments for paired nuclear states corresponding to the proton (neutron) quasiparticles blocked in the p11/2- (n13/2+) intruder configurations. We…

Accurate prediction of muon hyperfine constants is useful for interpreting muon spin spectroscopy data, yet standard methods such as density functional theory (DFT) compute muon-electron pair density functions, and thus hyperfine constants,…

Permanent electric dipole moments (EDMs) of fundamental particles such as the electron are signatures of parity and time-reversal violation due to physics beyond the standard model. EDM measurements probe new physics at energy scales well…

The density functional theory (DFT) is based on the existence and uniqueness of a universal functional $E[\rho]$, which determines the dependence of the total energy on single-particle density distributions. However, DFT says nothing about…

Nuclear spins of dopant atoms in semiconductors are promising candidates as quantum bits, due to the long lifetime of their quantum states. Conventionally, coherent control of nuclear spins is done using ac magnetic fields. Using the…

Relativistic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing a complete and accurate, global description of nuclear ground states and collective excitations. Guided by the medium…

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z=118), it is estimated that as many as about 3000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but…

Muonic atom transitions have been measured for almost all stable nuclei to extract nuclear structure properties, including nuclear charge radii and quadrupole moment. To investigate the possibilities of extracting higher-order radial…

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 $\pi7/2^{+}$…

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…

We consider a bound system of particles interacting via electromagnetic forces in an external electromagnetic field, including leading relativistic corrections. Each particle has a definite mass, charge, spin, and charge radius. We…

The present contribution does not aim at replacing the huge and often excellent literature on DFT for atomic nuclei, but tries to provide an updated introduction to this topic. The goal would be, ideally, to help a fresh M.Sc. or Ph.D.…

Searches for the permanent electric dipole moments (EDMs) of molecules, atoms, nucleons and nuclei provide powerful probes of CP violation both within and beyond the Standard Model (BSM). The interpretation of experimental EDM limits…

We review and summarize recent theoretical and experimental work on electron spin dynamics in quantum dots and related nanostructures due to hyperfine interaction with surrounding nuclear spins. This topic is of particular interest with…

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's…

We perform calculations of the CP-violating atomic and molecular electric dipole moments (EDM) induced by the interaction of the nuclear Schiff moments with electrons. EDM of atoms Eu, Dy, Gd, Ac, Th, Pa, U, Np and Pu are of special…

We explore the derivation of interatomic exchange interactions in ferromagnets within density-functional theory (DFT) and the mapping of DFT results onto a spin Hamiltonian. We delve into the problem of systems comprising atoms with strong…

We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…