Related papers: Chemistry in One Dimension
In strong laser-atom interactions, the Coulomb potential can affect the trajectories of rescattering electron in high-order harmonic generation (HHG). Here, by constructing a semi-analytical Coulomb-included model and comparing it with…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
A theory of a confined two dimensional electrolyte is presented. The positive and negative ions, interacting by a $1/r$ potential, are constrained to move on an interface separating two solvents with dielectric constants $\epsilon_1$ and…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the…
Cold atom systems provide a rich platform to realize strongly interacting condensed matter systems, and recent progress in fluorescence imaging technique has enabled identification of nontrivial doublon, singlon, and holon correlation…
Recently, the celebrated Keldysh potential has been widely used to describe the Coulomb interaction of few-body complexes in monolayer transition-metal dichalcogenides. Using this potential to model charged excitons (trions), one finds a…
A new class of analytic wave functions is derived for two dimensional N-electron (2 <= N < infinity) systems in high magnetic fields. These functions are constructed through breaking (at the Hartree-Fock level) and subsequent restoration…
We report on a study of interaction effects on the polarization of a disordered two-dimensional electron system in a strong magnetic field. Treating the Coulomb interaction within the time-dependent Hartree-Fock approximation we find…
The study of the fractional quantum Hall liquid state of two-dimensional electrons requires a non-perturbative treatment of interactions. It is possible to perform exact diagonalizations of the Hamiltonian provided one considers only a…
We formulate a three-dimensional semi-classical model to address triple and double ionization in three-electron atoms driven by intense infrared laser pulses. During time propagation, our model fully accounts for the Coulomb singularities,…
We present a detailed investigation of the electronic structure and bonding characteristics of hydrogen-based molecular systems (\ch{H2+}, \ch{H2}, \ch{H2-}) using the Exact Diagonalization Ab Initio (EDABI) approach within the framework of…
Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to effective low energy problems in the…
The effect of the Coulomb-interaction on persistent currents in disordered mesoscopic metal rings threaded by a magnetic flux $\phi$ is studied numerically. We use the simplest form of ``self-consistent'' Hartree theory, where the spatial…
Recently, the electron transport through a quasi-one dimensional (quasi-1D) electron gas was investigated experimentally as a function of the confining potential. We present a physical model for quantum ballistic transport of electrons…
The equilibrium states of one-dimensional proton conductors in the systems with hydrogen bonds are investigated. Our extended hard-core boson lattice model includes short-range interactions between hydrogen ions, their transfer along the…
Many molecules exhibit multiple conformers that often easily interconvert under thermal conditions. Therefore, single conformations are difficult to isolate which renders the study of their distinct chemical reactivities challenging. We…
We predict large regions of the charge stability diagram using a multi-band and multi-electron configuration interaction model of a double quantum dot system. We account for many-body interactions within each quantum dot using full…
We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we determine the Coulomb potential given as the functional…