Related papers: Studies of Er ionization energy
Harmonic wave functions for integer and half-integer angular momentum are given in terms of the Euler angles $(\theta,\phi,\psi)$ that define a rotation in $SO(3)$, and the Euclidean norm in ${\mathbb R}^3$. Following a classical work by…
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
Magnetic field of rotating pulsar might be so strong that the equation of state (EOS) of neutron star (NS) matter is significantly affected by the spin polarization of baryons. In the present work, the EOS of the spin-polarized nuclear…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
The Hartree-Fock equation which is the Euler-Lagrange equation corresponding to the Hartree-Fock energy functional is used in many-electron problems. Since the Hartree-Fock equation is a system of nonlinear eigenvalue problems, the study of…
We revisit the three-body problem in quantum mechanics in two and three dimensions, generating both exact eigenvalues and eigenvectors of the Hamiltonian and a series of approximate solutions as calculated with a variety of different…
We discuss an efficient scheme for obtaining spin-polarized quasi-particle excitation energies within the general framework of the density functional theory (DFT). Our approach is to correct the DFT eigenvalues via the electrostatic energy…
On the basis of the zero-temperature grand canonical ensemble generalization of the energy E[N,N_s,v,B] for fractional particle N and spin N_s numbers, the energy surface over the (N,N_s) plane is displayed and analyzed in the case of…
We calculate the Hartree-Fock energy of a density-wave in a spin polarized two-dimensional electron gas using a short-range repulsive interaction. We find that the stable ground state for a short-range potential is always either the…
Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient…
We report effects of electron-electron (\emph{e-e}) interaction on electron spin resonance (ESR) in perpendicular magnetic field in two-dimensional (2D) systems with Bychkov-Rashba spin splitting induced by spin-orbit interaction (SOI) and…
We use all-order relativistic many-body perturbation theory to study 5s^2 nl configurations of In I and Sn II. Energies, E1-amplitudes, and hyperfine constants are calculated using all-order method, which accounts for single and double…
We report a Monte Carlo study of the classical antiferromagnetic Heisenberg model with easy axis anisotropy on the triangular lattice. Both the free energy cost for long wavelength spin waves as well as for the formation of free vortices…
The determination of the energy spectra of small spin systems as for instance given by magnetic molecules is a demanding numerical problem. In this work we review numerical approaches to diagonalize the Heisenberg Hamiltonian that employ…
The electron impact ionization of atomic hydrogen is calculated for incident elrctron energy 76.46 eV. The Hartree-Fock approximation is used to calculate the initial state which includes both bound and continum wave functions. The final…
Improved values of hyperfine coefficients related to the electronic spin-orbit and electron-nucleus spin-spin tensor interactions in the HD$^+$ molecular ion are obtained through numerical calculation of relativistic corrections at the…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…
The ground-state Hartree-Fock (HF) wavefunction of the Hooke's atom is not known in closed form, contrary to the exact solution. The single HF orbital involved has thus far been studied using expansion techniques only, leading to slightly…
The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and…
We present a purely numerical approach in Cartesian grid, for efficient computation of Hartree-Fock (HF) exchange contribution in the HF and density functional theory models. This takes inspiration from a recently developed algorithm [Liu…