Related papers: Muffin Tin Orbitals of Arbitrary Order
The post-Newtonian approximation is useful to discuss gravitational waveforms for binary inspirals. In this note, for retrograde circular orbits in the equatorial plane, we discuss the region of validity of the post-Newtonian approximation…
Spatially localized one-electron orbitals, orthogonal and nonorthogonal, are widely used in electronic structure theory to describe chemical bonding and speed up calculations. In order to avoid linear dependencies of localized orbitals, the…
We calculate numerically the periodic orbits of pseudointegrable systems of low genus numbers $g$ that arise from rectangular systems with one or two salient corners. From the periodic orbits, we calculate the spectral rigidity…
A general concept for the derivation of symmetry-based pseudo spin Hamiltonians is described. It systematically bridges the gap between the atomistic basis and various pseudo spin models presented in literature. It thus allows the…
We calculate the gravitational waveform for spinning, precessing compact binary inspirals through second post-Newtonian order in the amplitude. When spins are collinear with the orbital angular momentum and the orbits are quasi-circular, we…
Tight binding (TB) models are one approach to the quantum mechanical many particle problem. An important role in TB models is played by hopping and overlap matrix elements between the orbitals on two atoms, which of course depend on the…
Analytic first and second derivatives of the energy are developed for the fragment molecular orbital method interfaced with molecular mechanics in the electrostatic embedding scheme at the level of Hartree-Fock and density functional…
A spin-orbital superexchange Hamiltonian in a Mott insulator with $t_{2g}$ orbital degeneracy is investigated. More specifically, we focus on a spin ferromagnetic state of the model and study a collective behavior of orbital angular…
We compute the leading order contribution to radiative losses in the case of spinning binaries with aligned spins due to their spin-orbit interaction. The orbital average along hyperboliclike orbits is taken through an appropriate…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
One of the promising sources of gravitational radiation is a binary system composed of compact stars. It is an important question how the rotation of the bodies and the eccentricity of the orbit affect the detectable signal. Here we present…
Correlation between orbital structure and magnetic ordering in bilayered manganites is examined. A level separation between the $3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals in a Mn ion is calculated in the ionic model for a large number of…
The multipolar-post-Minkowskian approach to gravitational radiation is applied to the problem of the generation of waves by the compact binary inspiral. We investigate specifically the third post-Newtonian (3PN) approximation in the total…
We extend the T-matrix approach to light scattering by spherical particles to some simple cases in which the scatterers are optically anisotropic. Specifically we consider cases in which the spherical particles include radially and…
The definition for the Slater-type orbitals is generalized. Transformation between an orthonormal basis function and the Slater-type orbital with non-integer principal quantum numbers is investigated. Analytical expressions for the linear…
Formulas for the contribution of the conduction electrons to the polarization and magnetization are derived for disordered systems and within a one-particle framework. These results generalize known formulas for Bloch electrons and the…
The scattering of electromagnetic waves from obstacles with wave-material interaction in thin layers on the surface is described by generalized impedance boundary conditions, which provide effective approximate models. In particular, this…
A variational method for many electron system is applied to momentum distribution calculations. The method uses a generating two-electron geminal and the amplitudes of the occupancies of one particle natural orbitals as variational…
Approximate analytical formula for density distribution in differentially rotating stars is derived. Any barotropic EOS and conservative rotation law can be handled with use of this method for wide range of differential rotation strength.…
An extension of the Gutzwiller trace formula is given that includes diffraction effects due to hard wall scatterers or other singularities. The new trace formula involves periodic orbits which have arcs on the surface of singularity and…