Related papers: Self Interaction Corrected Density Functional Theo…
Single particle spin-orbit interaction energy problem in nuclear shell structure is solved through negative harmonic oscillator in the self-similar-structure shell model (SSM) [4] and considering quarks' contributions on single particle…
A theoretical study of spin dynamics in non-relativistic particle beams with interacting angular momenta traversing static, spatially varying magnetic fields is presented. The computational framework evaluates sinusoidal magnetic field…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three-dimensional (3D) character of the external electric field…
This work is a sequel to our work "The Spin Density Matrix I: General Theory and Exact Master Equations" (eprint arXiv:0708.0644 [cond-mat]). Here we compare pure- and pseudo-spin dynamics using as an example a system of two quantum dots, a…
Spin-orbit and spin-spin effects in the gravitational interaction are treated in a close analogy with the fine and hyperfine interactions in atoms. The proper definition of the cener-of-mass coordinate is discussed. The technique developed…
The physical origin of the so-called chirality-induced spin selectivity (CISS) effect has puzzled experimental and theoretical researchers over the past few years. Early experiments were interpreted in terms of unconventional spin-orbit…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
A new strategy of fitting the coupling constants of the nuclear energy density functional is proposed, which shifts attention from ground-state bulk to single-particle properties. The latter are analyzed in terms of the bare single-particle…
From the subsubleading chiral three-nucleon force [intermediate-range contributions, published in Phys. Rev. C\,87, 054007 (2013)] a density-dependent NN-interaction $V_\text{med}$ is derived in isospin-symmetric nuclear matter. Following…
Relativistic self-consistent mean-field (SCMF) models naturally account for the coupling of the nucleon spin to its orbital motion, whereas non-relativistic SCMF methods necessitate a phenomenological ansatz for the effective spin-orbit…
We show that indirect spin-spin interactions between effective spin-1/2 systems can be realized in two parallel 1D optical lattices loaded with polar molecules and/or Rydberg atoms. The effective spin can be encoded into low-energy…
Interfaces of light and matter serve as a platform for exciting many-body physics and photonic quantum technologies. Due to the recent experimental realization of atomic arrays at sub-wavelength spacings, collective interaction effects such…
Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localised orbitals in real-space, rather than the delocalised eigenstates of conventional approaches. In local-orbital methods, relative to…
The electron spins of semiconductor defects can have complex interactions with their host, particularly in polar materials like SiC where electrical and mechanical variables are intertwined. By combining pulsed spin resonance with ab-initio…
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn-Sham eigenvalues are not…
Purpose: In treatment planning of charged-particle radiotherapy, patient heterogeneity is conventionally modeled as variable-density water converted from CT images to best reproduce the stopping power, which may lead to inaccuracies in the…
The configuration interaction (CI) method for calculating the exact eigenstates of a quantum-mechanical few-body system is problematic when applied to particles interacting through contact forces. In dimensions higher than one the approach…
The spin states of electrons confined in semiconductor quantum dots form a promising platform for quantum computation. Recent studies of silicon CMOS qubits have shown coherent manipulation of electron spin states with extremely high…