Related papers: A Wannier orbital based method for resonant inelas…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
In the study of dynamic charge order correlations in the cuprates, most high energy-resolution resonant inelastic x-ray scattering (RIXS) measurements have focused on momenta along the high-symmetry directions of the copper oxide plane.…
The recent discovery that resonant inelastic x-ray scattering can probe single-magnon (SM) dispersions in transition metal (TM) oxides when the x-ray energy is tuned to the TM $L$-edge, has put this technique on a par with inelastic neutron…
We formulate Wannier orbital overlap population and Wannier orbital Hamilton population to describe the contribution of different orbitals to electron distribution and their interactions. These methods, which are analogous to the well known…
Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a self-contained calculation scheme to construct,…
Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear and collective dynamics of excited atoms, molecules and solids. An extension of this powerful method to a time-resolved probe technique…
We provide a semiquantitative explanation of a recent experiment on the resonant inelastic x-ray scattering (RIXS) in insulating cuprate La2CuO4 (Y.J. Kim et al., Phys. Rev. Lett. 89, 177003 (2002).). We show theoretically that there are…
Resonant inelastic x-ray scattering (RIXS) experiment was performed at the Mn $L_3$ edge. A 10 $\%$ Mn-doped Sr$_{3}$Ru$_{2}$O$_{7}$ compound, where the Mn$^{3+}$ ions are in the 3$d^4$ state, were probed for $dd$ excitations. The dilute…
We develop a method based on tensor networks to create localized single particle excitations on top of strongly-correlated quantum spin chains. In analogy to the problem of creating localized Wannier modes, this is achieved by optimizing…
Atomic and molecular breakup reactions, such as multiple-ionisation, are described by a driven Schr\"odinger equation. This equation is equivalent to a high-dimensional Helmholtz equation and it has solutions that are outgoing waves,…
We study the magnetic excitation spectra of L-edge resonant inelastic x-ray scattering (RIXS) from the spin singlet ground state in one-dimensional undoped cuprates. Analyzing the transition amplitudes of the magnetic excitations in the…
We study the magnetic excitation spectra of resonant inelastic x-ray scattering (RIXS) at the $L$-edge from undoped cuprates beyond the fast collision approximation. We analyse the effect of the symmetry breaking ground state on the RIXS…
Based on ab initio software packages using nonorthogonal localized orbitals, we develop a general scheme of calculating response functions. We test the performance of this method by calculating nonlinear optical responses of materials, like…
We present a study of the charge-transfer excitations in undoped Nd2CuO4 using resonant inelastic X-ray scattering (RIXS) at the Cu K-edge. At the Brillouin zone center, azimuthal scans that rotate the incident-photon polarization within…
We study theoretically the collective orbital excitation named orbital wave in the orbital ordered manganites.The dispersion relation of the orbital wave is affected by the static spin structure through the coupling between spin and orbital…
Functionals that strive to correct for such self-interaction errors, such as those obtained by imposing the Perdew-Zunger self-interaction correction or the generalized Koopmans' condition, become orbital dependent or orbital-density…
We present a study of resonant inelastic X-ray scattering (RIXS) spectra collected at the rare-earth $L$ edges of divalent hexaborides YbB$_6$ and EuB$_6$. In both systems, RIXS-active features are observed at two distinct resonances…
We establish the spectral line shape of orbital excitations created by resonant inelastic X-ray scattering for the model Mott insulator CoO. Improved experimental energy resolution reveals that the line shapes are strikingly different from…
We present a semi-automated method for obtaining an initial estimate of Wannier functions, designed to facilitate the construction of Wannier functions for describing low-energy effective models of solids, particularly those relevant to…
Resonant inelastic x-ray scattering (RIXS) is an evolving tool for investigating spin dynamics of strongly correlated materials, which complements inelastic neutron scattering. Both techniques have found that non-spin-conserving (NSC)…