Related papers: Screening in the finite-temperature reduced Hartre…
We develop a family of cut finite element methods of different orders based on the discontinuous Galerkin framework, for hyperbolic conservation laws with stationary interfaces in both one and two space dimensions, and for moving interfaces…
The general procedure underlying Hartree-Fock and Kohn-Sham density functional theory calculations consists in optimizing orbitals for a self-consistent solution of the Roothaan-Hall equations in an iterative process. It is often ignored…
The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell-model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature…
The kinetics and thermodynamics of first order transitions is universally controlled by defects that act as nucleation sites and pinning centers. Here we demonstrate that defect-domain interactions during polarization reversal processes in…
A hyperbolic integro-differential equation is considered, as a model problem, where the convolution kernel is assumed to be either smooth or no worse than weakly singular. Well-posedness of the problem is studied in the context of semigroup…
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies,…
We propose a mean field framework in which the charge and the parity symmetries of a single-particle state are broken. We break these symmetries to incorporate the correlation induced by the tensor force into a nuclear mean field model. We…
In the description of the interaction between electrons beyond the classical Hartree picture, bare exchange often yields a leading contribution. Here we discuss its effect on optical spectra of solids, comparing three different frameworks:…
We determine numerically the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner…
The helium dimer in its metastable triplet state is a promising candidate to be the first laser-cooled homonuclear molecule. An ultracold gas of He$_2^*$ would enable a new generation of precision measurements to test quantum…
We propose experimental protocols to reveal thermoelectric and thermal effects in the transport properties of ultracold fermionic atoms, using the two-terminal setup recently realized at ETH. We show in particular that, for two reservoirs…
We study the properties of hot beta-stable nuclear matter using equations of state derived within the Brueckner-Hartree-Fock approach at finite temperature including consistent three-body forces. Simple and accurate parametrizations of the…
This works extends the recent study on the dielectric permittivity of crystals within the Hartree model [E. Cances and M. Lewin, Arch. Rational Mech. Anal., 197 (2010) 139--177] to the time-dependent setting. In particular, we prove the…
In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field…
This work presents exchange potentials for specific orbitals calculated by inverting Hartree-Fock wavefunctions. This was achieved by using a Depurated Inversion Method. The basic idea of the method relies upon the substitution of…
We show that the spin-and-space unrestricted Hartree-Fock method, in conjunction with the companion step of the restoration of spin and space symmetries via Projection Techniques (when such symmetries are broken), is able to describe the…
In this work quantum electrodynamics at T > 0 is considered. For this purpose we use thermo field dynamics and the causal approach to quantum field theory according to Epstein and Glaser, the latter being a rigorous method to avoid the…
Combining the thermal operator representation with the dispersion relation in QED at finite temperature and chemical potential, we determine the complete retarded photon self-energy only from its absorptive part at zero temperature. As an…
We present a numerical study of a trapped binary Bose-condensed gas by solving the corresponding Hartree-Fock equations. The density profile of the binary Bose gas is solved with a harmonic trapping potential as a function of temperature in…
The temperature dependence of most solid-state properties is dominated by lattice vibrations, but metals display notable purely electronic effects at low temperature, such as the linear specific heat and the linear entropy, that were…