Related papers: Radial Gausslets
We study fundamental and compound gap solitons (GSs) of matter waves in one-dimensional (1D) optical lattices (OLs) in a three-dimensional (3D) weak-radial-confinement regime, which corresponds to realistic experimental conditions in…
Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps…
Complex Gaussian basis sets are optimized to accurately represent continuum radial wavefunctions over the whole space. First, attention is put on the technical ability of the optimization method to get more flexible series of Gaussian…
The effect of strong magnetic fields parallel to GaAs/AlGaAs interface on the subband structure of a 2D electron layer is ivestigated theoretically. The system with two levels occupied in zero magnetic field is considered and the magnetic…
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…
We study the system consisted of two electrons in a quantum dot with a three-dimensional harmonic confinement potential under the effect of a magnetic field. Specifically, two different confinement conditions are considered, one isotropic…
Fractal scatterings in weak solitary wave interactions is analyzed for generalized nonlinear Schr\"odiger equations (GNLS). Using asymptotic methods, these weak interactions are reduced to a universal second-order map. This map gives the…
Generalised contact structures are studied from the point of view of reduced generalised complex structures, naturally incorporating non-coorientable structures as non-trivial fibering. The infinitesimal symmetries are described in detail,…
Generalization of Gaussian trial wave functions in quantum molecular dynamics models is introduced, which allows for long-range correlations characteristic for composite nuclear fragments. We demonstrate a significant improvement in the…
We introduce a mixed density fitting scheme that uses both a Gaussian and a plane-wave fitting basis to accurately evaluate electron repulsion integrals in crystalline systems. We use this scheme to enable efficient all-electron Gaussian…
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
A set of bi-orthogonal potential-density basis functions is introduced to model the density and its associated gravitational field of three dimensional stellar systems. Radial components of our basis functions are weighted integral forms of…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Analytical Hartree-Fock gradients with respect to the cell parameter have been implemented in the electronic structure code CRYSTAL, for the case of three-dimensional periodicity. The code is based on Gaussian type orbitals, and the…
Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. Remarkably, these are revealed in one and two electron molecular systems if the realm of the nuclear charge is extended to be…
Generalization of Gaussian trial wave functions in quantum molecular dynamics models is introduced, which allows for long-range correlations characteristic for composite nuclear fragments. We demonstrate a significant improvement in the…
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…
A mapping is obtained relating analytical radial Coulomb systems in any dimension greater than one to analytical radial oscillators in any dimension. This mapping, involving supersymmetry-based quantum-defect theory, is possible for…
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.…
Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In…