Related papers: Relativistic Douglas-Kroll-Hess Calculations of Hy…
We present an efficient method for rigorous quantum calculations of cross sections for atom-molecule reactive scattering in the presence of a dc electric field. The wavefunction of the reaction complex is expanded in an overcomplete set of…
We consider a helical system of fermions with a generic spin (or pseudospin) orbit coupling. Using the equation of motion approach for the single-particle distribution functions, and a mean-field decoupling of the higher order distribution…
The development of machine learning sheds new light on the problem of statistical thermodynamics in multicomponent alloys. However, a data-driven approach to construct the effective Hamiltonian requires sufficiently large data sets, which…
Magnetic dipole (M1) excitations build not only a fundamental mode of nucleonic transitions, but they are also relevant for nuclear astrophysics applications. We have established a theory framework for description of M1 transitions based on…
Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…
We propose a method to measure the hyperfine vectors between a nitrogen-vacancy (NV) center and an environment of interacting nuclear spins. Our protocol enables the generation of tunable electron-nuclear coupling Hamiltonians while…
In terms of Dirac matrices the self-dual and anti-self-dual decomposition of a conformal supergravity is given and a self-dual conformal supergravity theory is developed as a connection dynamic theory in which the basic dynamic variabes…
In antiferromagnetic (AFM) thin films, broken inversion symmetry or coupling to adjacent heavy metals can induce Dzyaloshinskii-Moriya (DM) interactions. Knowledge of the DM parameters is essential for understanding and designing exotic…
We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…
We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $\alpha$-(BETS)$_2$I$_3$ [= $\alpha$-(BEDT-TSeF)$_2$I$_3$] at a low temperature of 30K.…
We introduce a new class of multilevel, adaptive, dual-space methods for computing fast convolutional transforms. These methods can be applied to a broad class of kernels, from the Green's functions for classical partial differential…
Extending density functional theory (DFT) to an {\it ab initio} orbital functional theory (OFT) requires new methodology for nonlocal exchange and correlation potentials. This paper describes such modifications to a standard Dirac-Slater…
We study the frictional adhesive contact of a rigid insulating sphere sliding past a multiferroic coating deposed onto a rigid substrate, based on the hybrid element method (HEM). The adhesion behavior is described based on the…
The Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction has been extensively explored in isotropic Dirac systems with linear dispersion, which typically follows an exponent decaying rate with the impurity distance $R$, i.e., $J\propto 1/R^d$…
Microscopic methods and tools to describe nuclear dynamics have considerably been improved in the past few years. They are based on the time-dependent Hartree-Fock (TDHF) theory and its extensions to include pairing correlations and quantum…
The relativistic Breit Hamiltonian between electrons is transformed into an effective vector potential ${\bf A}_i$ for the $i.$th electron, ${\bf A}_i$ having the structure of a recoil--corrected hyperfine operator. Apart from a small…
We compute the spin susceptibility of the two-dimensional Hubbard model away from half-filling, and analyze the impact of frequency dependent vertex corrections as obtained from the dynamical mean field theory (DMFT). We find that the local…
Measurement science now connects strongly with engineering of quantum coherence, many-body states, and entanglement. To scale up the performance of an atomic clock using a degenerate Fermi gas loaded in a three-dimensional optical lattice,…
In this work, a derivation and implementation of the relativistic time-dependent configuration interaction singles (RTDCIS) method is presented. Various observables for krypton and xenon atoms obtained by RTDCIS are compared with…
We derive from the subleading contributions to the chiral three-nucleon force (short-range terms and relativistic corrections, published in Phys. Rev. C84, 054001 (2011)) a density-dependent two-nucleon interaction $V_\text{med}$ in…