Related papers: Muffin Tin Orbitals of Arbitrary Order
Links between two well known methods: methods of zero-range and non-overlapped (muffin-tin) potentials are discussed. Some difficulties of the method of zero-range potentials and its possible elimination are discussed. We argue that such…
Basic mechanisms controlling orbital order and orbital fluctuations in transition metal oxides are discussed. The lattice driven classical orbital picture, e.g. like in manganites LaMnO$_3$, is contrasted to the quantum behavior of orbitals…
We investigate the dynamics of spinning binaries of compact objects at the next-to-leading order in the quadratic-in-spin effects, which corresponds to the third post-Newtonian order (3PN). Using a Dixon-type multipolar formalism for…
X-ray resonant scattering at the K-edge of transition metal oxides is shown to measure the orbital order parameter, supposed to accompany magnetic ordering in some cases. Virtual transitions to the 3d-orbitals are quadrupolar in general. In…
It is proposed that the observation of orbital ordering in manganite materials should be possible at the L_II and L_III edges of manganese using X-ray resonant scattering. If performed, dipole selection rules would make the measurements…
Orbital semilattices are introduced as bounded semilattices that are, in addition, equipped with an outer multiplication (a semigroup action) and diagonals (a concept borrowed from cylindric algebra), where each semilattice element has a…
The Slater-type orbital basis with non-integer principal quantum numbers is a physically and mathematically motivated choice for molecular electronic structure calculations in both non-relativistic and relativistic theory. The…
In view of recent controversy regarding the orbital order in the frustrated spinel ZnV2O4, we analyze the orbital and magnetic groundstate of this system within an ab initio density functional theory approach. While LDA+U calculations in…
We construct ensembles of random integrable matrices with any prescribed number of nontrivial integrals and formulate integrable matrix theory (IMT) -- a counterpart of random matrix theory (RMT) for quantum integrable models. A type-M…
The inspiral of compact binaries, driven by gravitational-radiation reaction, is investigated through 7/2 post-Newtonian (3.5PN) order beyond the quadrupole radiation. We outline the derivation of the 3.5PN-accurate binary's center-of-mass…
Waveforms are classical observables associated with any radiative physical process. Using scattering amplitudes, these are usually computed in a weak-field regime to some finite order in the post-Newtonian or post-Minkowskian approximation.…
Exploiting simple yet remarkable properties of relativistic gravitational scattering, we use first-order self-force (linear-in-mass-ratio) results to obtain arbitrary-mass-ratio results for the complete third-subleading post-Newtonian…
We propose random tight-binding models that host macroscopically degenerate zero energy modes and belong to the unitary class. Specifically, we employ the molecular-orbital representation, where a Hamiltonian is constructed by a set of…
We present a theory of the collective orbital excitation termed orbital wave in perovskite titanates and vanadates with the triply degenerate $t_{2g}$ orbitals. The dispersion relations of the orbital waves for the orbital ordered LaVO$_3$,…
We study theoretically the anomalous X-ray scattering as a new probe to observe the orbital orderings and excitations in perovskite manganites. The scattering matrix is given by the virtual electronic excitations from Mn $1s$ level to…
We perform numerical analysis to study the orbits described by subwavelength size particles interacting with structured light beams. Our solution to the particle dynamics considers: (i) the gradient force, (ii) the radiation pressure, and…
We present a linear spin and orbital wave theory to account for the spin and orbital orderings observed experimentally in undoped manganite. It is found that the anisotropy of the magnetic structure is closely related to the orbital…
Finite-range numerical atomic orbitals are the basis functions of choice for several first principles methods, due to their flexibility and scalability. Generating and testing such basis sets, however, remains a significant challenge for…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
Localized basis sets in the projector augmented wave formalism allow for computationally efficient calculations within density functional theory (DFT). However, achieving high numerical accuracy requires an extensive basis set, which also…