Related papers: Band terminations in density functional theory
A systematic study of terminating states in A$\sim$50 mass region using the self-consistent Skyrme-Hartree-Fock model is presented. The objective is to demonstrate that the terminating states, due to their intrinsic simplicity, offer unique…
We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains…
Time-odd mean fields (nuclear magnetism) and their impact on physical observables in rotating nuclei are studied in the framework of covariant density functional theory (CDFT). It is shown that they have profound effect on the dynamic and…
This paper concerns the asymptotic ground state properties of heavy atoms in strong, homogeneous magnetic fields. In the limit when the nuclear charge Z tends to infinity with the magnetic field B satisfying B >> Z^{4/3} all the electrons…
Systematic calculations of favored signature maximum-spin I_max and unfavored signature I_max - 1 terminating states for [f 7/2 ^ n] and [d 3/2 ^ (-1) f 7/2 ^ (n+1)] configurations (n denotes number of valence particles) in A ~ 44 mass…
Time-odd mean fields (nuclear magnetism) are analyzed in the framework of covariant density functional theory (CDFT). It is shown that they always provide additional binding to the binding energies of odd-mass nuclei. This additional…
A systematic construction of the energy-density functional within the local density approximation is presented. The Hartree-Fock equations corresponding to such a functional are solved in case of rotating superdeformed nuclei. The identical…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
The microscopic role of nuclear magnetism in rotating frame is investigated for the first time in the framework of the cranked relativistic mean field theory. It is shown that nuclear magnetism modifies the expectation values of…
Nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
An angular effective mass formalism previously introduced is used to study the density of states in warped and non-warped energy bands. Band warping may or may not increase the density-of-states effective mass. Band "corrugation," referring…
The rotating nuclei represent one of most interesting subjects for theoretical and experimental studies. They open a new dimension of nuclear landscape, namely, spin direction. Contrary to the majority of nuclear systems, their properties…
We study the effect of time-odd components of the Skyrme energy density functionals on the ground state of finite nuclei and in nuclear matter. The spin-density dependent terms, which have been recently proposed as an extension of the…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
Using density functional theory, we investigate fluctuations of the ground state energy of spin-polarized, disordered quantum dots in the metallic regime. To compare to experiment, we evaluate the distribution of addition energies and find…
The relative properties of smooth terminating bands observed in the A~110 mass region are studied within the effective alignment approach. Theoretical values of $i_{eff}$ are calculated using the configuration-dependent shell-correction…
The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…
Using the tight-binding approach, we investigate the energy spectrum of square, triangular and hexagonal MoS$_2$ quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS$_2$ QDs, which are…
The relativistic Hartree approach describing the bound states of both nucleons and anti-nucleons in finite nuclei has been extended to include tensor couplings for the $\omega$- and $\rho$-meson. After readjusting the parameters of the…