Related papers: Evaluation of three-center two-electron repulsion …
We obtain a microscopic description of the interaction between electron spins in bulk semiconductors and in pairs of semiconductor quantum dots. Treating the k.p band mixing and the Coulomb interaction on the same footing, we obtain in the…
Two systematic sources of error in most current microscopic evaluations of fission-barrier heights are studied. They are concerned with an approximate treatment of the Coulomb exchange terms (known as the Slater approximation) in the…
We present a new method to solve the nuclear density functional theory (DFT) equations using a two-center harmonic oscillator for Skyrme-like functionals, incorporating pairing and Coulomb interactions. The goal is to efficiently determine…
We consider a motion of a weakly relativistic charged particle with an arbitrary spin in central potential $e/r$ in terms of classical mechanics. We show that the spin-orbital interaction causes the precession of the plane of orbit around…
A coordinate space approach, based on that used by Efimov, is applied to three-body systems with contact interactions between pairs of particles. In systems with nonzero orbital angular momentum or with asymmetric spatial wave functions,…
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational wavefunction composed of a few hundred optimized…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…
Separate spin evolution quantum hydrodynamics is generalized to include the Coulomb exchange interaction. The Coulomb exchange interaction is considered as the interaction between the spin-down electrons being in the quantum states occupied…
Standard QCD resummation techniques provide precise predictions for the spectrum and the cumulant of a given observable. The integrated spectrum and the cumulant differ by higher-order terms which, however, can be numerically significant.…
Initialization, manipulation, and measurement of a three-spin qubit are demonstrated using a few-electron triple quantum dot, where all operations can be driven by tuning the nearest-neighbor exchange interaction. Multiplexed reflectometry,…
Absorbing boundaries are frequently employed in real-time propagation of the Schr\"odinger equation to remove spurious reflections and efficiently emulate outgoing boundary conditions. These conditions are a fundamental ingredient for an…
A numerical approach to compute tensor integrals in one-loop calculations is presented. The algorithm is based on a recursion relation which allows to express high rank tensor integrals as a function of lower rank ones. At each level of…
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O \left( 1/ c^2 \right) $, is introduced to density functional theory (DFT) based on the non-relativistic…
Superexchange calculation is performed for multi-orbital band models with broken inversion symmetry. Orbital-changing hopping terms allowed by the symmetry breaking electric field lead to a new kind of orbital exchange term closely…
Exchange-coupled singlet-triplet spin qubits in two gate-defined double quantum dots are considered theoretically. Using charge density operators to describe the double-dot orbital states, we calculate the Coulomb couplings between the…
We present three schemes to go beyond the electric-dipole approximation in X-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light-matter interaction…
The method of screening and renormalization for including the Coulomb interaction in the framework of momentum-space integral equations is applied to the three- and four-body nuclear reactions. The Coulomb effect on the observables and the…
We study electron transport through single-electron spin-valve transistors in the presence of non-local exchange between the ferromagnetic leads and the central normal-metal island. The Coulomb interaction is described with the orthodox…
In order to analyze structure of tangent spaces of a transient orbit, we propose a new algorithm which pulls back vectors in tangent spaces along the orbit by using a calculation method of covariant Lyapunov vectors. As an example, the…
We propose a method for calculating Coulomb matrix elements between exciton and biexciton states in semiconductor nanocrystals based on the envelope function formalism. We show that such a calculation requires proper treatment of the Bloch…