Related papers: Orbital-dependent second-order scaled-opposite-spi…
A set of density functionals coming from different rungs on Jacob's ladder are employed to evaluate the electronic excited states of three Ru(II) complexes. While most studies on the performance of density functionals compare the vertical…
Given a critical quantum spin chain described by a conformal field theory (CFT) at long distances, it is crucial to understand the universal conformal data. One most important ingredient is the operator product expansion (OPE) coefficients,…
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…
We have derived a new method which allows to compute the full and the Pauli reference kinetic potentials for atoms and molecules in a real space representation. This is done by applying the optimized effective potential (OEP) method to…
The complete analytical $O(m_l^3\alpha^5/m_p^2\times (\log{m_\pi}, \log{\Delta}, \log{m_l}))$ contribution to the Hyperfine splitting is given. It can explain about 2/3 of the difference between experiment and the pure QED prediction when…
Spin-orbit coupling in solids describes an interaction between an electron's spin, an internal quantum-mechanical degree of freedom, with its linear momentum, an external property. Spin-orbit interaction, due to its relativistic nature, is…
This work is an analytic theoretical study of a 2D semiconductor with a Fermi surface that is split by the Zeeman coupling of electron spins to an external magnetic field in the presence of electron-electron interactions. For the first…
Materials with spin-orbit coupling are of great interest for various spintronics applications due to the efficient electrical generation and detection of spin-polarized electrons. Over the past decade, many materials have been studied,…
Spin-orbit coupling (SOC) drives interesting and non-trivial phenomena in solid state physics, ranging from topological to magnetic to transport properties. Thorough study of such phenomena often require effective models where SOC term is…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to…
An exact-exchange spin-current Kohn-Sham method to treat non-collinear spin, magnetic effects, currents, spin-currents, and spin-orbit interactions self-consistently on equal footing is introduced. Spin-orbit interactions are shown to…
Spin squeezing provides crucial quantum resource for quantum metrology and quantum information science. Here we propose that one axis-twisted (OAT) spin squeezing can be generated from free evolution under a general coupled-spin model with…
We carry out a detailed study of the role of electronic interaction on $p$ oxygen orbitals in a Mott insulator oxide (UO$_2$) and a charge transfer oxide (TiO$_2$). First, we calculate values of effective interactions \Uff, \Upp{} and…
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem…
Simultaneous $\chi^{2}$ analyses are performed for elastic scattering and fusion cross section data for the $^{12}$C+$^{208}$Pb system at near-Coulomb-barrier energies by using the extended optical model approach in which the polarization…
This paper proposes a novel second-order optimization algorithm based on the Optimal Control Principle (OCP), applicable to large-scale optimization problems in neural network training. The algorithm has a computational complexity of O(d)…
We perform Monte Carlo simulations of 2-d dynamically triangulated surfaces coupled to Ising and three--states Potts model matter. By measuring spin-spin correlation functions as a function of the geodesic distance we provide substantial…
We study the interplay of both Rashba and Dresselhaus spin-orbit couplings (SOCs) and a uniform perpendicular magnetic field $\textbf{B}$ on the transport of a spin-polarized electron along a curved quantum wire. Eigenenergies and…
This article reviews the physics and technology of producing large quantities of highly spin-polarized, or hyperpolarized, $^3$He nuclei using spin-exchange (SEOP) and metastability-exchange (MEOP) optical pumping, and surveys applications…
We present a new calculation of the $O(\alpha_s^2)$ coefficient of the energy-energy correlation function (EEC) using two different schemes to cancel infrared and collinear poles. The numerical evaluation uses the phase space slicing and…