Related papers: Non-dipole angular anisotropy parameters of semi-f…
Photochemical reactions on semiconductors are anisotropic, since they occur with different rates on surfaces of different orientation. Understanding the origin of this anisotropy is crucial to engineering more efficient photocatalysts. In…
We present a symmetry analysis of electronic bandstructure including spin-orbit interaction close to the insulating gap edge in monolayer black phosphorus ('phosphorene'). Expressions for energy dispersion relation and spin-dependent…
We present a theoretical study on polarization-averaged molecular-frame photoelectron angular distributions (PA-MFPADs) emitted from $1s$ orbital of oxygen atom of dissociating dicationic carbon monoxide CO$^{2+}$. Due to the…
Electron interactions with the nuclear-spin-dependent (NSD) parity non-conserving (PNC) anapole moment are strongly enhanced within heteronuclear diatomic molecules. A novel, low-energy optical rotation experiment is being proposed with the…
Photoionization from atom-C60 hybrid levels in halogen endufullerene molecules, Cl@C60, Br@C60 and I@C60, are calculated using a linear response density functional method. Both the ordinary electron-configuration where the open shell…
We demonstrate a bipartition technique using a super-lattice architecture to access correlations between alternating planes of a mesoscopic array of spin-3 chromium atoms trapped in a 3D optical lattice. Using this method, we observe that…
We extend our analysis of two electrons on a sphere [Phys. Rev. A {\bf 79}, 062517 (2009); Phys. Rev. Lett. {\bf 103}, 123008 (2009)] to electrons on concentric spheres with different radii. The strengths and weaknesses of several…
We introduce a novel and concise methodology to detect the parity of atomic and molecular orbitals based on photoelectron holography, which is more general than the existing schemes. It fully accounts for the Coulomb distortions of electron…
Measurements of the temperature and angular dependencies of the upper critical fields $H_{c2}$ of a stoichiometric single crystal LiFeAs in pulsed magnetic fields up to 50 T were performed using a tunnel diode resonator. Full $H^{\parallel…
The angular and polarization properties of the photon pair emitted in the two--photon decay of $2s$ hyperfine states in hydrogenlike ions are investigated within the relativistic Dirac framework and second order perturbation theory. The…
Several experiments in the context of ladder materials have recently shown that the study of simple models of anisotropic ladders (i.e. with different couplings along legs and rungs) is important for the understanding of these compounds. In…
Unpolarized 800 MeV proton inelastic scatterings from an s-d shell nucleus $^{22}$Ne are analyzed using phenomenological optical potentials in the Dirac coupled channel formalism. The first-order rotational collective model is used to…
A theoretical investigation of photoabsorption and photoionization of Fe^{14+} extending beyond an earlier frame transformation R-matrix implementation is performed using a fully-correlated, Breit-Pauli R-matrix formulation including both…
We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…
We study the interplay of electron and photon spin in non-reciprocal materials. Traditionally, the primary mechanism to design non-reciprocal photonic devices has been magnetic fields in conjunction with magnetic oxides, such as iron…
Magnetic anisotropy and magnetic exchange interactions are crucial parameters that characterize the hybrid metal-organic interface, key component of an organic spintronic device. We show that the incorporation of 4$f$ RE atoms to hybrid…
Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic…
Effects of the interchannel coupling on the spin polarization of energetic photoelectrons emitted from atomic Ne valence subshells are examined. Like previously obtained results for cross sections and angular distributions, the…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…
A two-orbital two-electron diatomic model resembling LiH is used to investigate the differences between the exact L\"owdin-Shull and approximate Hartree-Fock-Bogoliubov and Baerends-Buijse density matrix functionals in the medium- to…