Related papers: Relativistic Exchange Bounds
The Hartree-Fock equation admits homogeneous states that model infinitely many particles at equilibrium. We prove their asymptotic stability in large dimensions, under assumptions on the linearised operator. Perturbations are moreover…
The non-relativistic large-$Z$ expansion of the exchange energy of neutral atoms provides an important input to modern non-empirical density functional approximations. Recent works report results of fitting the terms beyond the dominant…
We generalize the treatment of the electronic spin degrees of freedom in density functional calculations to the case where the spin vector variables employed in the definition of the energy functional can vary in any direction in space. The…
General analytic energy bounds are derived for N-boson systems governed by semirelativistic Hamiltonians of the form H=\sum_{i=1}^N \sqrt(p_i^2+m^2) + \sum_{1=i<j}^N V(r_{ij}), where V(r) is a static attractive pair potential. A…
Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). So far, however, computational cost has limited the use of exact exchange in plane wave…
The low-energy amplitude of Compton scattering on the bound state of two charged particles of arbitrary masses, charges and spins is calculated. A case in which the bound state exists due to electromagnetic interaction (QED) is considered.…
We investigate energy and momentum non-contact exchanges between two arbitrary flat media separated by a gap. This problem is revisited as a transmission problem of individual system eigenmodes weighted by a transmission probability…
We calculate the neutron matter equation of state at finite temperature based on low-momentum two- and three-nucleon interactions. The free energy is obtained from a loop expansion around the Hartree-Fock energy, including contributions…
We derive and employ a local potential to represent the Fock exchange operator in electronic single-particle equations. This local Fock-exchange (LFX) potential is very similar to the exact exchange (EXX) potential in density functional…
Closed nonrelativistic (nonretarded) theory of conservative and dissipative electromagnetic forces and heat exchange between moving particles (nanoprobes) and a surface (flat and cylindrical) is reviewed. The formalism is based on methods…
A relativistic Hartree-Fock Lagrangian including a chiral potential and nucleon polarisation is investigated in hopes of providing a better description of dense nuclear matter. We fully consider the contribution of the exchange Fock term to…
We study $N$ interacting massless Dirac fermions confined in a two-dimensional quantum dot. Physical realizations of this problem include a graphene monolayer and the surface state of a strong topological insulator. We consider both a…
We present fully empirical exchange-correlation functionals to be used within reduced density matrix functional theory (RDMFT). These are of the popular J-K form, where the function of the occupation numbers that multiplies the Fock orbital…
The recent progress in the studies of nuclear charge-exchange excitations with localized covariant density functional theory is briefly presented, by taking the fine structure of spin-dipole excitations in 16O as an example. It is shown…
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…
While the exact total energy of a separated open system varies linearly as a function of average electron number between adjacent integers, the energy predicted by semi-local density functional approximations curves upward and the…
We study the mean-field approximation of Quantum Electrodynamics, by means of a thermodynamic limit. The QED Hamiltonian is written in Coulomb gauge and does not contain any normal-ordering or choice of bare electron/positron subspaces.…
The ground state properties of He isotopes are studied in the nonlinear relativistic mean-field (RMF) theory with force parameters NL-SH and TM2. The modified Glauber model as a gatekeeper is introduced to check the calculations. The…
We study the Hartree-Fock equation and the Hartree-Fock energy functional universally used in many-electron problems. We prove that the set of all critical values of the Hartree-Fock energy functional less than a constant smaller than the…
The impact of Hartree-Fock correlations on the nuclear momentum distribution is studied in a fully relativistic one boson exchange model. Hartree-Fock equations are exactly solved to first order in the coupling constants. The…