Related papers: Orbital-dependent second-order scaled-opposite-spi…
Absolute binding energies of core electrons in molecules and bulk materials can be efficiently calculated by spin paired density-function theory employing a $\Delta$ Kohn-Sham ($\Delta$KS) scheme corrected by offsets that are highly…
A 2D square, two-bands, strongly correlated and non-integrable system is analysed exactly in the presence of many-body spin-orbit interactions via the method of Positive Semidefinite Operators. The deduced exact ground states in the high…
We report an effective functional form for the spin-spin correlation function of the 2D Ising model as a function of temperature and field. Although the Ising model has been well studied, no analytical result for the spin-spin correlation…
We show that the electron spin polarization generated by an electrical current may have its direction controlled and magnitude amplified by periodic optical excitation. The electrical and optical spin control methods were combined and…
Spin-polarization response functions are examined for high-energy $(\vec{e},e'\vec{p})$ reaction by computing the full 18 response functions for the proton kinetic energy $T_{p'}=$ 0.515 GeV and 3.179 GeV with an 16O target. The Dirac…
Exchange-correlation potentials vxc and energy densities exc are derived for integer and fractional electron counts using an orbital-averaged Kohn-Sham inversion procedure. The reference densities for inversion come from full configuration…
The optimized effective potential method is formulated as a convex minimization problem. This formulation does not require assumptions about $v$-representability nor functional differentiability. The formulation provides a natural framework…
We study a special class of four-point correlation functions of infinitely heavy half-BPS operators in planar N=4 SYM which admit factorization into a product of two octagon form factors. We demonstrate that these functions satisfy a system…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
There are several approximations to the exchange-correlation functional in density-functional theory that accurately predict total energy-related properties of many-electron systems, such as binding energies, bond lengths, and crystal…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
We calculate via the effective field theory (EFT) approach the next-to-next-to-leading order (NNLO) spin1-spin2 conservative potential for a binary. Hereby, we first demonstrate the ability of the EFT approach to go at NNLO in…
We consider determination of spin-orbit (SO) coupling constants for the two-dimensional electron gas from measurements of electric properties in rotated in-plane magnetic field. %Due to the interplay Due to the SO coupling the electron…
We derive the effective charge- and current-density operators for the strong-coupling limit of a single-band Mott insulator in the presence of spin-orbit coupling and show that the spin-orbit contribution to the effective charge density…
We consider conformal defects with spins under the rotation group acting on the transverse directions. They are described in the embedding space formalism in a similar manner to spinning local operators, and their correlation functions with…
We develop SOS-RILT-MP2, an efficient Gaussian-based periodic scaled opposite-spin second-order M{\o}ller-Plesset perturbation theory (SOS-MP2) algorithm that utilizes the resolution-of-the-identity approximation (RI) combined with the…
We present a fully variational locally scaled self-interaction corrected (SIC) energy functional using complex optimal orbitals. This represents an important milestone for fully variational SIC energy functionals, which have been shown to…
We investigate the correlation effects on spin-orbit coupling (SOC) in a two-orbital Hubbard model on a square lattice by applying the variational Monte Carlo method. We consider an effective SOC constant $\lambda_{\text{eff}}$ in the…
Quantum mechanical calculations of core electron binding energies (CEBEs) leading to 2p hole states are relevant to interpreting L-edge x-ray photo-electron spectroscopy (XPS), as well as higher edges. Orbital-optimized density functional…
The effect of the exchange-correlation potential in ab initio electron transport calculations is investigated by constructing optimized effective potentials (OEP) using different energy functionals or the electron density from second-order…