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Using methods of functional integration, and performing simple Gaussian integrals, I show that an interacting system of electrons can be bosonized in arbitrary dimensions, in terms of the electrostatic potential which mediates the…
Deformed correlated Gaussian basis functions are introduced and their matrix elements are calculated. These basis functions can be used to solve problems with nonspherical potentials. One example of such potential is the dipole…
Historically, the field of plasmonics has been relying on the framework of classical electrodynamics, with the local-response approximation of material response being applied even when dealing with nanoscale metallic structures. However,…
Sizable hyperpolarisation, i.e. an imbalance of the occupation numbers of nuclear spins in a sample deviating from thermal equilibrium, is needed in various fields of science. For example, hyperpolarised tracers are utilised in magnetic…
We develop a technique for generating a set of optimized local basis functions to solve models in the Kohn-Sham density functional theory for both insulating and metallic systems. The optimized local basis functions are obtained by solving…
Electrolytes play an important role in a plethora of applications ranging from energy storage to biomaterials. Notwithstanding this, the structure of concentrated electrolytes remains enigmatic. Many theoretical approaches attempt to model…
The time evolution of electron waves in graphene superlattices is studied using both microscopic and 'effective medium' formalisms. The numerical simulations reveal that in a wide range of physical scenarios it is possible to neglect the…
The basic methods of constructing the sets of mutually unbiased bases in the Hilbert space of an arbitrary finite dimension are discussed and an emerging link between them is outlined. It is shown that these methods employ a wide range of…
Using a plane wave pseudopotential approach to density functional theory we investigate the electron localization length in various oxides. For this purpose, we first set up a theory of the band-by-band decomposition of this quantity, more…
We consider the focusing energy-critical quintic nonlinear wave equation in three dimensional Euclidean space. It is known that this equation admits a one-parameter family of radial stationary solutions, called solitons, which can be viewed…
Materials science and the study of the electronic properties of solids are a major field of interest in both physics and engineering. The starting point for all such calculations is single-electron, or non-interacting, band structure…
Electrons in strong magnetic fields can be described by one-dimensional models in which the Coulomb potential and interactions are replaced by regularizations associated with the lowest Landau band. For a large class of models of these…
We introduce hybrid gausslet/Gaussian basis sets, where a standard Gaussian basis is added to a gausslet basis in order to increase accuracy near the nuclei while keeping the spacing of the grid of gausslets relatively large. The Gaussians…
The one-dimensional nanostructures have been used as the electrode to decrease the operation voltage where strong electric field is needed to function the device in the gaseous electronics. In this letter, a novel electrode scheme is…
Since in periodic systems, a given element may be present in different spatial arrangements displaying vastly different physical and chemical properties, an elemental basis set that is independent of physical properties of materials may…
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…
A new type of excitations by highly focused electron beams in scanning transmission electron microscopes is predicted for nanoparticles. The calculated electron energy loss spectra of metallic (silver) and insulating (SiO(sub2))…
In this paper we study in detail the localized wave functions defined in Phys. Rev. Lett. {\bf 76}, 1613 (1994), in connection with the scarring effect of unstable periodic orbits in highly chaotic Hamiltonian system. These functions appear…
Probing optical excitations with nanometer resolution is important for understanding their dynamics and interactions down to the atomic scale. Electron microscopes currently offer the unparalleled ability of rendering spatially-resolved…
Strong magnetic fields such as those found on white dwarfs have significant effects on the electronic structure of atoms and molecules. However, the vast majority of molecular studies in the literature in such fields are carried out with…