Related papers: Paired Orbitals for Different Spins equations
We present a new linear scaling method for the energy minimization step of semiempirical and first-principles Hartree-Fock and Kohn-Sham calculations. It is based on the self-consistent calculation of the optimum localized orbitals of any…
The relation between solutions to Helmholtz's equation on the sphere $S^{n-1}$ and the $[{\gr sl}(2)]^n$ Gaudin spin chain is clarified. The joint eigenfuctions of the Laplacian and a complete set of commuting second order operators…
To model magnetic fields of compact objects we solve the Maxwell equations in the background of the exterior static Schwarzschild and slowly rotating Kerr space-times. We impose the boundary condition that the electromagnetic fields are to…
An analytical solution to the Hill problem Hamiltonian expanded about the libration points has been obtained by means of perturbation techniques. In order to compute the higher orders of the perturbation solution that are needed to capture…
We prove the existence of non-constant time periodic vortex solutions to the Gross-Pitaevskii equations for small but \textit{fixed} $\varepsilon > 0.$ The vortices of these solutions follow periodic orbits to the point vortex system of…
L\"owdin's symmetry dilemma is an ubiquitous issue in approximate quantum chemistry. In the context of Hartree-Fock (HF) theory, the use of Slater determinants with some imposed constraints to preserve symmetries of the exact problem may…
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…
Motivated by the recent development in strong spin-orbit-coupled materials, we consider the dipole-octupole doublets on the triangular lattice. We propose the most general interaction between these unusual local moments. Due to the…
By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…
We report smooth relativistic Hartree-Fock pseudopotentials (also known as averaged relativistic effective potentials or AREPs) and spin-orbit operators for the atoms H to Ba and Lu to Hg. We remove the unphysical extremely non-local…
We present the exact solutions of the homoclinic orbits for the timelike geodesics of the particle on the general nonequatorial orbits in the Kerr-Newman black holes. The homoclinic orbit is the separatrix between bound and plunging…
Intimate though the connection is between orbital angular momentum and intrinsic spin, there are differences between them the two quantities. One of them is the fact that while orbital angular momentum has a wave-mechanics description by…
It is shown that the eigenproblem of any $2\times 2$ matrix Hamiltonian with discrete eigenvalues is involved with a supersymmetric quantum mechanics. The energy dependence of the superalgebra marks the disparity between the deduced…
The orbital-selective Mott phase (OSMP) of multiorbital Hubbard models has been extensively analyzed before using static and dynamical mean-field approximations. In parallel, the properties of Block states (antiferromagnetically coupled…
We derive the equations of motion of spinning compact binaries including the spin-orbit (SO) coupling terms one post-Newtonian (PN) order beyond the leading-order effect. For black holes maximally spinning this corresponds to 2.5PN order.…
Phonon-induced spin relaxation in coupled lateral quantum dots in the presence of spin-orbit coupling is calculated. The calculation for single dots is consistent with experiment. Spin relaxation in double dots at useful interdot couplings…
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 investigate the periodic Anderson model composed of an itinerant $c$-band and a strongly localized $f$-band, featuring on-site electron-electron interactions in the $f$-orbitals. The two bands interact via a hybridization term with…
The nonlinear pseudo-oscillator recently tackled by Gadella and Lara is mapped to an Emden-Fowler (EF) equation that is written as an autonomous two-dimensional ODE system for which we provide the phase-space analysis and the parametric…
We discuss in general the construction of gauge-invariant non-local meson operators on the lattice. We use such operators to study the $P$- and $D$-wave mesons as well as hybrid mesons in quenched QCD, with quark masses near the strange…