相关论文: Challenges with relativistic GW calculations in so…
The dark matter scattering with atomic bound electrons is a crucial avenue for exploring the sub-GeV mass range. If not handled properly, even negative values can arise in the scattering matrix element squared or equivalently the…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
The physical consequences of the relativistic and nonrelativistic approaches to describe the energy levels of electrons which propagate in a static homogeneous magnetic field are considered. It is shown that for a given strength of the…
We present a study of the equilibrium properties of $sp$-bonded solids within the pseudopotential approach, employing recently proposed generalized gradient approximation (GGA) exchange correlation functionals. We analyze the effects of the…
Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel…
Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
The electric permittivities and magnetic permeabilities for a relativistic electron gas are calculated from quantum electrodynamics at finite temperature and density as functions of temperature, chemical potential, frequency, and…
A new class of exact solutions of the Einstein-Maxwell system is found in closed form. This is achieved by choosing a generalised form for one of the gravitational potentials and a particular form for the electric field intensity. For…
The performance of many-body perturbation theory for calculating ground-state properties is investigated. We present fully numerical results for the electron gas in three and two dimensions in the framework of the GW approximation. The…
Electron-electron correlation forms the basis of difficulties encountered in multi-electron systems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In…
Although relativistic electrodynamics is more than 100 year old, there is one neglected topic in its presentation and application: relativistic transformations of electromagnetic integrals. Whereas in theoretical and applied electrodynamics…
Recent advances in laser technology enable to follow electronic motion at its natural time-scale with ultrafast pulses, leading the way towards atto- and femtosecond spectroscopic experiments of unprecedented resolution. Understanding of…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
Development of quantum engineering put forward new theoretical problems. Behavior of a single mesoscopic cell (device) we may usually describe by equations of quantum mechanics. However if experimentators gather hundreds of thousands of…
The physics of high-energy collider experiments asks for delicate comparisons between theoretical predictions and experimental data. Signals and potential backgrounds for new physics have to be predicted at sufficient accuracy. The accuracy…
A stochastic cumulant GW method is presented, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes and emergence of collective excitations from molecules to bulk-like systems with up to thousands of…
Coincidence scattering of polarized electrons from nuclei with polarization transfer to outgoing nucleons is studied within the context of relativistic mean field theory. Effects introduced by the dynamical enhancement of the lower…
The parity violating longitudinal asymmetry ${\cal A}$ is calculated for quasielastic electron scattering. We use a variety of relativistic mean field models for the response of nuclear matter and $^{12}$C at a momentum transfer of q=550…