相关论文: Thomas-Fermi Theory
We illustrate the main features of a recently proposed method based on ensemble density functional theory to divide rigorously a complex molecular system into its parts [M.H. Cohen and A. Wasserman, J. Phys. Chem. A 111, 2229 (2007)]. The…
The model of Fermi particles with random two-body interaction is investigated. This model allows to study the origin and accuracy of statistical laws in few-body systems, the role of interaction and chaos in thermalization, Fermi-Dirac…
We introduce a non-equilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the…
Atomic nuclei can be spontaneously deformed into non-spherical shapes as many-nucleon systems. We discuss to what extent a similar deformation takes place in many-electron systems. To this end, we employ several many-body methods, such as…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
We present a general approach for the construction of the exact local-energy-density functionals for a uniform N-dimensional electronic system in a magnetic field. For arbitrary dimension, we obtain explicit expressions for the matter,…
Approximations to the many-fermion free energy density functional that include the Thomas-Fermi (TF) form for the non-interacting part lead to singular densities for singular external potentials (e.g. attractive Coulomb). This limitation of…
An empirical formula relating the physical masses of elementary particles and the Fermi constant is proposed. Although no mechanism or theoretical model behind this formula is advocated, we seek for a possible physical interpretation. If…
At present there are two vastly different ab initio approaches to the description of the the many-body dynamics: the Density Functional Theory (DFT) and the functional integral (path integral) approaches. On one hand, if implemented…
We study the non-uniform nuclear matter using the self-consistent Thomas--Fermi approximation with a relativistic mean-field model. The non-uniform matter is assumed to be composed of a lattice of heavy nuclei surrounded by dripped…
We present a new semi-classical theory for describing pairing in finite Fermi systems. It is based in taking the $\hbar \to 0$, i.e. Thomas-Fermi, limit of the gap equation written in the basis of the mean field (weak coupling). In addition…
We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…
A consistent theory is developed of the volume energy oscillations of spherical nuclei due to sharpness of the Fermi distribution boundary for quasiparticles. The lowest value of the oscillating part of the energy corresponds to a magic…
An approximate analytical solution of the Thomas-Fermi equation for neutral atoms is obtained, using the Ritz variational method, which reproduces accurately the numerical solution, in the range $0\leq x\leq50$, and its derivative at $x=0$.…
Atomic-like systems in which electronic motion is two dimensional are now realizable as ``quantum dots''. In place of the attraction of a nucleus there is a confining potential, usually assumed to be quadratic. Additionally, a perpendicular…
Understanding how electronic structure determines the reactivity of solid surface, is a central topic of modern surface science. This is mostly commonly done through some intermediate quantity termed descriptor. However, such descriptors…
Electronic density of states (DOS) at Fermi level has been investigated in ultrathin Ag films grown on Si(111)-(7x7) down to the two dimensional limit of a single atomic layer. Measurement of DOS at Fermi level by scanning tunneling…
Approximation theory is concerned with the ability to approximate functions by simpler and more easily calculated functions. The first question we ask in approximation theory concerns the {\it possibility of approximation}. Is the given…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…