Related papers: Mapping exchange in relativistic Hartree-Fock
One of the open problems in nuclear structure is how to predict properties of finite nuclei from the knowledge of a bare nucleon-nucleon interaction of the meson-exchange type. We point out that a promising starting point consists in…
Exchange hole is the principle constituent in density functional theory, which can be used to accurately design exchange energy functional and range separated hybrid functionals coupled with some appropriate correlation. Recently, density…
The standard relativistic mean-field model is extended by including dynamical effects that arise in the coupling of single-nucleon motion to collective surface vibrations. A phenomenological scheme, based on a linear ansatz for the energy…
A detailed convex analysis-based formulation of density-functional theory for periodic systems in arbitrary dimensions is presented. The electron-electron interaction is taken to be of Yukawa type, harmonising with underlying function…
We show that the Hartree-Fock (HF) results cannot be reproduced within the framework of Kohn-Sham (KS) theory because the single-particle densities of finite systems obtained within the HF calculations are not $v$-representable, i.e., do…
We study the relation between the finite-range (meson-exchange) and zero-range (point-coupling) representations of effective nuclear interactions in the relativistic mean-field framework. Starting from the phenomenological interaction…
Whereas many different models exist in the mathematical and physics literature for ground states of non-relativistic crystals, the relativistic case has been much less studied and we are not aware of any mathematical result on a fully…
We analyze a class of mean-field (MF) lattice-fermion Hamiltonians and construct the corresponding grand-canonical density operator for such system. New terms are introduced, which may be interpreted as local fugacities, molecular fields,…
The effects of the symmetry energy softening of the relativistic mean field (RMF) models on the properties of matter with neutrino trapping are investigated. It is found that the effects are less significant than those in the case without…
A two-parameter extension of the density-scaled double hybrid approach of Sharkas et al. [J. Chem. Phys. 134, 064113 (2011)] is presented. It is based on the explicit treatment of a fraction of multideterminantal exact exchange. The…
Separating the Coulomb potential into short-range and long-range components enables the use of different electron repulsion integral algorithms for each component. The short-range part can be efficiently computed using the analytical…
Complementary nature of coercivity enhancement and exchange bias is generalized from the layered systems to ferro-antiferromagnet (F-AF) exchange coupled systems with arbitrary configurations and is proved based on the coherent rotation of…
Density functional theory (DFT), one of the most widely utilized methods available to computational chemistry, fails to describe systems with statically correlated electrons. To address this shortcoming, in previous work we transformed DFT…
The relativistic mean field approach (RMF) is well known for describing accurately binding energies and nucleon distributions in atomic nuclei throughout the nuclear chart. The random phase approximation (RPA) built on top of the RMF is…
Brueckner-Hartree-Fock theory allows to derive the $G$-matrix as an effective interaction between nucleons in the nuclear medium. It depends on the center of mass momentum $\bm{P}$ of the two particles and on the two relative momenta…
Effects of the relativistic correction of the Coulomb interaction on doubly-magic nuclei are discussed with Skyrme Hartree--Fock calculations. The relativistic correction is treated by using the local density approximation. It is found that…
The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…
Multideterminant calculations have been performed on model systems to emphasize the role of many-body effects in the general description of charge quantization experiments. We show numerically and derive analytically that a closed-shell…
Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas dimers and the S22 benchmark set of weakly interacting…
State-of-the-art simulation tools for non-equilibrium quantum transport systems typically take the current-carrier occupations to be described in terms of equilibrium distribution functions characterised by two different electro-chemical…