Related papers: Coupling and Dissociation in Artificial Molecules
We analyze breaking of symmetries that belong to the double point group D2h(TD) (three mutually perpendicular symmetry axes of the second order, inversion, and time reversal). Subgroup structure of the D2h(TD) group indicates that there can…
Restoration of pseudo-spin symmetry (PSS) along the $N=32$ and $34$ isotonic chains and the physics behind are studied by applying the relativistic Hartree-Fock theory with effective Lagrangian PKA1. Taking the proton pseudo-spin partners…
We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at…
We investigate the Hartree-Fock solutions to H2 in a minimal basis. We note the properties of the solutions and their disappearance with geometry and propose a new method, Holomorphic Hartree-Fock theory, where we modify the SCF equations…
The coupled dynamics of low lying modes, including the scissors mode, and various giant quadrupole resonances are studied with the help of the Wigner Function Moments method generalized to take into account spin degrees of freedom.…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
The ground state (GS) properties of the quasi-one-dimensional $AB_2$ Hubbard model are investigated taking the effects of charge and spin quantum fluctuations on equal footing. In the strong-coupling regime, we derive a low-energy…
We present an extension of our one-body M{\o}ller-Plesset second-order perturbation (OBMP2) method for open-shell systems. We derived the OBMP2 Hamiltonian through the canonical transformation followed by the cumulant approximation to…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…
Chemically-active colloids modify the concentration of chemical solutes surrounding them in order to self-propel. In doing so, they generate long-ranged hydrodynamic flows and chemical gradients that modify the trajectories of other…
We investigate the behavior of disordered interacting electrons in the insulating regime. Our study is based on the quantum Coulomb glass model which is obtained from the classical Coulomb glass by adding hopping matrix elements between…
We present a comparative study of the spatial distribution of the spin density (SD) of the ground state of CuCl2 using Density Functional Theory (DFT), quantum Monte Carlo (QMC), and post-Hartree-Fock wavefunction theory (WFT). A number of…
The quest for quantum degenerate Fermi gases interacting through the anisotropic and long-range dipole-dipole interaction is an exciting and fast developing branch within the cold-atoms research program. Recent experimental progress in…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
The coordinate space formulation of the Hartree-Fock-Bogoliubov (HFB) method enables self-consistent treatment of mean-field and pairing in weakly bound systems whose properties are affected by the particle continuum space. Of particular…
We study the magnetic phases of two coupled two-dimensional electron gases in order to determine under what circumstances these phases may occur in real semiconductor quantum wells and what the experimental properties of the broken-symmetry…
The Dicke model, which describes the dipolar coupling between N two-level atoms and a quantized electromagnetic field, seemingly violates gauge invariance in the presence of ultrastrong light-matter coupling, a regime that is now…
The spin symmetry in the Dirac negative energy spectrum and its origin are investigated for the first time within the density-dependent relativistic Hartree-Fock (DDRHF) theory. Taking the nucleus $^{16}$O as an example, the spin symmetry…
We numerically investigate how electron-electron interactions influence the transport properties of disordered electrons in two dimensions. Our study is based on the quantum Coulomb glass model appropriately generalized to include the spin…