Related papers: Chemistry in One Dimension
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
The ground-state properties of one-dimensional electron-spin-polarized hydrogen $^1$H, deuterium $^2$H, and tritium $^3$H are obtained by means of quantum Monte Carlo methods. The equations of state of the three isotopes are calculated for…
The all-order correlation potential method of accurate atomic structure calculations for atoms with one external electron is extended to include one more class of correlation diagrams to all orders. These are the so-called ladder diagrams…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
The one-particle density of states (1P-DOS) in a system with localized electron states vanishes at the Fermi level due to the Coulomb interaction between electrons. Derivation of the Coulomb gap uses stability criteria of the ground state.…
Electron-electron interactions strongly affect the behavior of low-dimensional systems. In one dimension (1D), arbitrarily weak interactions qualitatively alter the ground state producing a Luttinger liquid (LL) which has now been observed…
We present results of Monte-Carlo simulations for finite 2D single and bilayer systems. Strong Coulomb correlations lead to arrangement of particles in configurations resembling a crystal lattice. For binary layers, there exists a…
The electronic state in a CoO_2 plane of the layered cobalt oxides Na_{x}CoO_2 is investigated by using the 11 band d-p model on a two-dimensional triangular lattice, where the tight-binding parameters are determined so as to fit the LDA…
Fully numerical mesh solutions of 2D and 3D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of…
Effects of Coulomb interaction on persistent currents in disordered one-dimensional rings are numerically investigated. First of all effectiveness of the Hartree-Fock approximation is established on small systems. Then the calculations are…
The influence of long-range Coulomb interactions on the properties of one-dimensional (1D) strongly correlated electron systems in vicinity of the metal-insulator phase transition is considered. It is shown that unscreened repulsive Coulomb…
The effects of a long range electronic potential on a one dimensional chain of spinless fermions are investigated by numerical techniques (Exact Diagonalisation of rings with up to 30 sites complemented by finite size analysis) and analytic…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
We study the interplay between Coulomb blockade and the Kondo effect in quantum dots. We use a self-consistent scheme which describes mesoscopic devices in terms of a collective phase variable (slave rotor) and quasiparticle degrees of…
We study the spectrum of the Dirac hamiltonian in one space dimension for a single electron in the electrostatic potential of a point nucleus, in the Born-Oppenheimer approximation where the nucleus is assumed fixed at the origin. The…
We consider a one-dimensional electron system, suitable for the description of the electronic correlations in a metallic carbon nanotube. Renormalization group methods are used to study the low-energy behavior of the unscreened Coulomb…
An approach to electron correlation effects in atoms that uses quantum trajectories is presented. A comparison with the exact quantum mechanical results for 1D Helium atom shows that the major features of the correlated ground state…
We present a new dimensional scaling transformation of the Schrodinger equation for the two electron bond. This yields, for the first time, a good description of the two electron bond via D-scaling. There also emerges, in the large-D limit,…
Here the recently proposed time-dependent quantum Monte Carlo method is applied to three dimensional para- and ortho-helium atoms subjected to an external electromagnetic field with amplitude sufficient to cause significant ionization. By…