Related papers: Band terminations in density functional theory
Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems…
Reconstructing a density of states or similar distribution from moments or continued fractions is an important problem in calculating the electronic and vibrational structure of defective or non-crystalline solids. For single bands a…
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…
Spin-orbit coupling induces a current density in the ground state, which consequently requires a generalization for meta-generalized gradient approximations. That is, the exchange-correlation energy has to be constructed as an explicit…
We investigate the ground-state energy and spin of disordered quantum dots using spin-density-functional theory. Fluctuations of addition energies (Coulomb-blockade peak spacings) do not scale with average addition energy but remain…
Effective field theory is applied to finite-density systems with an unnaturally large scattering length, such as neutron matter. A new organizational scheme is identified and connected with an expansion in inverse powers of the number of…
We show how every bound state of a finite system of identical fermions, whether a ground state or an excited one, defines a density functional. Degeneracies created by a symmetry group can be trivially lifted by a pseudo-Zeeman effect. When…
In non-interacting or weakly-interacting 2D electron systems, the energy of the extended states increases as the perpendicular magnetic field approaches zero: the extended states "float up" in energy, giving rise to an insulator. However,…
The presence of bound states in a nanoscale electronic system attached to two biased, macroscopic electrodes is shown to give rise to persistent, non-decaying, localized current oscillations which can be much larger than the steady part of…
The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy band theory for warm dense matter (WDM) is proposed and a new…
We analytically study the effects of periodically alternating magnetic fields on the dynamics of a tight-binding ring. It is shown that an arbitrary quantum state can be frozen coherently at will by the very frequent square-wave field as…
We present new ab initio calculations of the electronic structure of various atoms and molecules in strong magnetic fields ranging from B=10^12 G to 2x10^15 G, appropriate for radio pulsars and magnetars. For these field strengths, the…
The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic…
Important gaps remain in our understanding of the thermodynamics and statistical physics of self-gravitating systems. Using mean field theory, here we investigate the equilibrium properties of several spherically symmetric model systems…
Expressions for the density of states $D(E)$, where $D(E)$ is the number of states of energy $E$, are well known. The present paper offers the expressions for generalized density of states $D_N(E,m)$, where $D_N(E,m)$ is the number of…
We study nuclear high-spin states undergoing the transition to the fully stretched configuration with maximum angular momentum I_max within the space of valence nucleons. To this end, we perform a systematic theoretical analysis of…
There has been an enduring interest and controversy about whether or not one can define physically meaningful energy density and stress fields, $e(\bf{r})$ and $\sigma_{\alpha \beta}(\bf{r})$, since the two forms of the kinetic energy,…
The standard relativistic mean-field model is extended by including dynamical effects that arise in the coupling of single-nucleon motion to collective surface vibrations. A phenomenological scheme, based on a linear ansatz for the energy…
We present new, ab initio calculations of the electronic structure of one-dimensional infinite chains and three-dimensional condensed matter in strong magnetic fields ranging from B=10^12 G to 2x10^15 G, appropriate for observed magnetic…
The bound state energies of L-shaped or T-shaped quantum wires in inhomogeous magnetic fields are found to depend strongly on the asymmetric parameter $\alpha =W_{2}/W_{1}$, i.e. the ratio of the arm widths. Two effects of magnetic field on…