Related papers: Electron localization in one dimension obtained fr…

The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and…

It is shown that the Coulomb interaction can lead to delocalization of two electron states in two-dimensional (2D) disordered potential in a way similar to the Anderson transition in three dimensions (3D). At fixed disorder strength the…

We study numerically the ground-state properties of the repulsive Hubbard model for spin-1/2 electrons on two-dimensional lattices with disordered on-site energies. The projector quantum Monte Carlo method is used to obtain very accurate…

Ground-state energies of the one- and two-electron uranium dimers are calculated for internuclear distances in the range D=40--1000 fm and compared with the previous calculations. The generalization of the dual-kinetic-balance approach for…

We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…

In the diffusive transport of waves in three dimensional media, there should be a phase transition with increasing disorder to a state where no transport occurs. This transition was first discussed by Anderson in 1958 in the context of the…

We consider Anderson localization and the associated metal-insulator transition for non-interacting fermions in D = 1, 2 space dimensions in the presence of spatially correlated on-site random potentials. To assess the nature of the…

Electrons at the Fermi energy may lose their ability to propagate to long distances in certain random media. We use Green functions and solve parquet equations for the non-local electron-hole vertex in high spatial dimensions to describe…

Electrons with kinetic energies of the order 100 keV are capable of exciting atomic vibrational states from a distance of microns. Despite such a large interaction distance, our detailed calculations show that the scattering physics permits…

We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been…

We predict breakdown of the electric dipole approximation at nonlinear Cooper minimum in direct two-photon $K-$shell atomic ionisation by circularly polarised light. According to predictions based on the electric dipole approximation, we…

Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…

An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…

The exact ground state of four electrons in an arbitrary large two leg Hubbard ladder is deduced from nine analytic and explicit linear equations. The used procedure is described, and the properties of the ground state are analyzed. The…

Anderson localization is the ubiquitous phenomenon of inhibition of transport of classical and quantum waves in a disordered medium. In dimension one, it is well known that all states are localized, implying that the distribution of an…

The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained $1\sigma$ ground-state energies are…

We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…

Topic of the thesis is a theoretical description of the ultracold atomic gases in one- and two-dimensional optical lattices in the presence of the disorder leading to the Anderson localization. The disorder is created by interaction of the…

When two perfectly conducting inclusions are located closely to each other, the electric field concentrates in a narrow region in between two inclusions, and becomes arbitrarily large as the distance between two inclusions tends to zero.…

Dimension 2 is expected to be the lower critical dimension for Anderson localization in a time reversal-invariant disordered quantum system. Using an atomic quasiperiodic kicked rotor -- equivalent to a two-dimensional Anderson-like model…