Related papers: Self-interaction errors in nuclear energy density …
Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange--correlation density functionals (DFs) near molecular dissociation in liquid hydrogen. NQEs strongly influence…
Systems of identical particles possessing non-local interactions are capable of exhibiting extra-classical properties beyond the characteristic quantum length scales. This letter derives the dynamics of such systems in the non-relativistic…
If neutrinos have self-interactions, these will induce scatterings between astrophysical and cosmic neutrinos. Prior work proposed to look for possible resulting resonance features in astrophysical neutrino spectra in order to seek a…
Fractional occupation numbers can produce open-shell degeneracy in density functional theory. We develop the corresponding perturbation theory by requiring that a differentiable map connects the initial and perturbed states. The degenerate…
We extend density-matrix expansions in nuclei to higher orders in derivatives of densities and test their convergence properties. The expansions allow for converting the interaction energies characteristic to finite- and short-range nuclear…
In designing and optimizing new-generation nanomaterials and related quantum devices, dissipation versus decoherence phenomena are often accounted for via local scattering models, such as relaxation-time and Boltzmann-like schemes. Here we…
Lack of memory (locality in time) is a major limitation of almost all present time-dependent density functional approximations. By using semiclassical dynamics to compute correlation effects within a density-matrix functional approach, we…
Semilocal density-functional approximations (DFAs), including the state-of-the-art SCAN functional, are plagued by the self-interaction error (SIE). While this error is explicitly defined only for one-electron systems, it has inspired the…
We describe the behavior of the Perdew-Zunger self-interaction-corrected local density approximation (SIC-LDA) functional when implemented in a plane-wave pseudopotential formalism with Wannier functions. Prototypical semiconductors and…
We derive from the subleading contributions to the chiral three-nucleon force (long-range terms, published in Phys.\,Rev.\,C\,77, 064004 (2008)) a density-dependent two-nucleon interaction $V_\text{med}$ in isospin-symmetric, spin-saturated…
We revisit supernova (SN) bounds on a hidden sector consisting of millicharged particles $\chi$ and a massless dark photon. Unless the self-coupling is fine-tuned to be small, rather than exiting the SN core as a gas, the particles form a…
Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…
When hypothetical neutrino secret interactions ($\nu$SI) are large, they form a fluid in a supernova (SN) core, flow out with sonic speed, and stream away as a fireball. For the first time, we tackle the complete dynamical problem and solve…
The selfenergy in Born approximation including exchange of interacting one-dimensional systems is expressed in terms of a single integral about the potential which allows a fast and precise calculation for any potential analytically. The…
The density-density correlations of the non-interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utilizing general relations from linear response theory, known and…
Kinetic energy functionals of the electronic density are used to model large systems in the context of density functional theory, without the need to obtain electronic wavefunctions. We discuss the problems associated with the application…
Non-covalent interactions are essential in the description of soft matter, including materials of technological importance and biological molecules. In density-functional theory, common approaches fail to describe dispersion forces, an…
It is shown that the DFT exchange and correlation functionals satisfy an expression that couples exchange and correlation functionals and functional derivatives evaluated at three different densities and for two particle numbers. This…
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.…
The off-shell behavior of the nucleon self-energy in isospin asymmetric nuclear matter is investigated within the framework of relativistic Dirac-Brueckner-Hartree-Fock approach based on projection techniques. The dependence of the Dirac…