Related papers: Spin-dependent gradient correction for more accura…
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…
GaAs/AlGaAs quantum dots grown by in-situ droplet etching and nanohole infilling offer a combination of strong charge confinement, optical efficiency, and spatial symmetry required for polarization entanglement and spin-photon interface.…
The shock model of gamma-ray bursts (GRBs) contains two equipartition parameters: the magnetic energy density and the kinetic energy density of the electrons relative to the total energy density of the shock, "epsilon_B" and "epsilon_e",…
Various spin observables (analyzing powers and spin-correlation parameters) in $pd$ elastic scattering at $T_p = 800-1000$ MeV are analyzed within the framework of the refined Glauber model. The theoretical model uses as input…
We present relativistic many-body calculations of total electron binding energy of neutral atoms up to element $Z=120$. Binding energy for ions may be found by subtracting known ionization potentials. Accuracy of the results for $17<Z…
A dynamics of the precession of coupled atomic moments in the tight-binding (TB) approximation is presented. By implementing an angular penalty functional in the energy that captures the magnetic effective fields self-consistently, the…
The Stark-interference technique is commonly used to amplify the feeble parity-violating signal in atomic experiments. As a result, interpretation of these experiments in terms of electroweak observables requires knowledge of the…
In this work, the quantum phase transition in the sub-Ohmic spin-boson model is studied using a single-mode approximation, by combining the rotating wave transformation and the transformations used in the numerical renormalization group…
The energy of a droplet of linear extent L in the ``droplet theory'' of spin glasses goes as $L^{\theta}$ for large L. It is argued that this formula needs to be modified by the addition of a scaling correction $L^{-\omega}$ in order to…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
Using a reverse-engineering method we construct a meta-generalized gradient approximation (meta-GGA) angle-averaged exchange-correlation hole model which has a general applicability. It satisfies known exact hole constraints and can exactly…
This paper presents a novel approach to Grover adaptive search (GAS) for a combinatorial optimization problem whose objective function involves spin variables. While the GAS algorithm with a conventional design of a quantum dictionary…
Gausslets are one of the few basis constructions for electronic structure that combine locality, orthonormality, variable resolution, and an accurate diagonal approximation for the electron-electron interaction, but the original…
The strongly constrained and appropriately normed (SCAN) semilocal density functional [J. Sun, A. Ruzsinszky, J. P. Perdew \textit{Phys. Rev. Lett.} {\bf 115}, 036402 (2015)] obeys all 17 known exact constraints for…
We study the uniform electron gas with a gap model in the context of density functional theory. Based on this analysis, we construct two local gap models that realize generalized gradient approximation (GGA) correlation functionals…
To investigate $pn$ pair correlations in $N=Z=\textrm{odd}$ nuclei, we develop a new framework based on the generator coordinate method of the $\beta\gamma$ constraint antisymmetrized molecular dynamics. In the framework, the isospin…
The comagnetometer has been one of the most sensitive devices with which to test new physics related to spin-dependent interactions, but the comagnetometers based on overlapping ensembles of multiple spin species usually suffer from…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
We report an efficient technique to treat density functionals of the meta-generalized gradient approximation (mGGA) class in conjunction with density fitting of Coulomb terms (DF-J) and exchange-correlation terms (DF-X). While the kinetic…
Molecular vibrations are increasingly seen as a key factor for spin dynamics in single-ion magnets and molecular spin qubits. Herein we show how an inexpensive combination of molecular dynamics calculations and a crystal field analysis can…