Related papers: Complete Multipole Basis Set for Single-Centered E…
The singularities of the electromagnetic field are derived to include all the point-like multipoles representing an electric charge and current distribution. We show that for higher orders, it is more efficient to have fields represented in…
The molecular electric dipole, quadrupole and octupole moments of a selected set of 21 spin-compensated molecules are determined employing the extended version of the Piris natural orbital functional 6 (PNOF6), using the triple-$\zeta$…
An ancient Hamiltonian of electrons with entangled spin and orbital degrees of freedom is re-examined as a model of magneto-electric multipoles. In the model, a magnetic charge and simple quantum rotator are tightly locked in action, some…
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…
Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…
The phenomenological theory of ferroelectricity in spiral magnets presented in [M. Mostovoy, Phys. Rev. Lett. 96, 067601 (2006)] is generalized to describe consistently states with both uniform and modulated-in-space ferroelectric…
A new general formalism for determining the electric multipole polarizabilities of quantum (atomic and nuclear) bound systems based on the use of the transition matrix in momentum space has been developed. As distinct from the conventional…
In order to investigate multipole ordering in f-electron systems from a microscopic viewpoint, we study the so-called \Gamma_8 models on three kinds of lattices, simple cubic (sc), bcc, and fcc, based on a j-j coupling scheme with…
The inverse electromagnetic source scattering problem from multi-frequency sparse electric far field patterns is considered. The underlying source is a combination of electric dipoles and magnetic dipoles. We show that the locations and the…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
We propose many-body order parameters for bulk multipoles in crystalline systems, which originate from the non-trivial topology of the nested Wilson loop spectrum. The many-body order parameters are designed to measure multipolar charge…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
A set of interacting particles are coupled to a phenomenological core described using the generalized coherent state model. Among the particle-core states a finite set which have the property that the angular momenta carried by the proton…
We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation of individual STO distributions in the…
We propose a method to simultaneously determine the magnetic centers of multiple quadrupoles in a transport line or a storage ring. The method finds the magnet centers by correcting the orbit shift due to a change of the quadrupole gradient…
We investigate microscopic aspects of multipole ordering in f-electron systems with emphasis on the effect of lattice structure. For the purpose, first we construct f-electron models on three kinds of lattices, simple cubic (sc), bcc, and…
By decoupling the geometric from the dynamical contributions in the scattering processes, we develop a method to compute the scattering matrix of electrons in a one-dimensional coherent conductor connected to two electrodes. In particular,…
A molecular description for magic-number configurations of interacting electrons in a quantum dot in high magnetic fields developed by one of the authors has been elaborated for four, five and six electron dots. For four electrons, the…
Magnetoelectrics often possess ions located in noncentrosymmetric surroundings. Based on this fact we suggest a microscopic model of magnetoelectric interaction and show that the spin-orbit coupling leads to spin-dependent electric dipole…
The multipole moment is an established concept of electrons in solids. Entanglement of spin, orbital, and sublattice degrees of freedom is described by the multipole moment, and spontaneous multipole order is a ubiquitous phenomenon in…