Related papers: Generalized relativistic small-core pseudopotentia…
The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…
This paper studies the model of the quantum electrodynamics (QED) of a single nonrelativistic electron due to W. Pauli and M. Fierz and studied further by P. Blanchard. This model exhibits infrared divergence in a very simple context. The…
We describe a simplified derivation for the relativistic corrections of order $\alpha^4$ for a bound system consisting of two spinless particles. We devote special attention to pionium, the bound system of two oppositely charged pions. The…
A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and energy consistency are combined and defined in terms of correlated-electron wave-functions. The resulting energy…
The relation of the rotated-electron site distribution configurations that describe the energy eigenstates of the one-dimensional Hubbard model to the momentum occupancy configurations of the same states associated with the Bethe ansatz…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
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 study QED corrections to operator matrix elements involving heavy composite particles (e.g., heavy-mesons, nuclei, and atoms). We define a new notion of reducible and irreducible graphs which is useful for systems with many discrete…
We investigate the radiative quantum electrodynamic (QED) corrections to the lepton ($L=e, ~\mu $ and $\tau$) anomalous magnetic moment due to the contributions of diagrams with insertions of the photon vacuum polarisation operator…
With the appearance of superpower laser sources of relativistic/ultrarelativistic intensities in the last decade, the laser-QED-vacuum-matter interaction physics has entered a new phase that makes real the observation of many nonlinear…
The simplest, algebraic quantum-electrodynamical corrections, due to the double-negative energy subspace and instantaneous interactions, are computed to the no-pair energy of two-spin-1/2-fermion systems. Numerical results are reported for…
The quantum hydrodynamic-like equations for two real variables (i.e., the phase and the amplitude of the wave function) of the relativistic Klein-Gordon equation are derived in the present paper. The paper also shows that in classical limit…
We generalize the concept of separable dual-space Gaussian pseudopotentials to the relativistic case. This allows us to construct this type of pseudopotential for the whole periodic table and we present a complete table of pseudopotential…
For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…
We present our successful implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) for electronic and bosonic amplitudes, covering both individual and mixed excitation processes…
We consider QED in five dimensions in a configuration where matter is localized on a 3-brane while foton propagates in the bulk. The idea is to investigate the effects of the Kaluza-Klein modes of the photon in the relativistic regime, but…
We report an implementation of the core-valence separation approach to the 4-component relativistic Hamiltonian based equation-of-motion coupled-cluster with singles and doubles theory (CVS-EOM-CCSD), for the calculation of relativistic…
State-of-the-art numerical simulations of quantum electrodynamical (QED) processes in strong laser fields rely on a semiclassical combination of classical equations of motion and QED rates, which are calculated in the locally constant field…
Magnetized neutron stars constitute a special class of compact objects harbouring gravitational fields that deviate strongly from the Newtonian weak field limit. Moreover strong electromagnetic fields anchored into the star give rise to…
A simple methodology is suggested for the efficient calculation of certain central potentials having singularities. The generalized pseudospectral method used in this work facilitates {\em nonuniform} and optimal spatial discretization.…