Related papers: Symmetry Breaking with the SCAN Density Functional…
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…
Constructed to satisfy all known exact constraints and appropriate norms for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation functional has shown early promise…
The Strongly Constrained and Appropriately Normed (SCAN) functional is a non-empirical meta-generalized-gradient approximation (meta-GGA) functional that satisfies all the known constraints that a meta-GGA functional can, but it also…
The SCAN meta-GGA exchange-correlation functional [Phys. Rev. Lett. 115, 036402 (2015)] is constructed as a chemical environment-determined interpolation between two separate energy densities: one describes single orbital electron densities…
The strongly constrained and appropriately normed (SCAN) semilocal density functional [J. Sun, A. Ruzsinszky, J. P. Perdew \textit{Phys. Rev. Lett.} {\bf 115}, 036402 (2015)] obeys all 17 known exact constraints for…
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin-densities or total densities, which are sometimes observable. They can arise from soft…
The strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) functional is a milestone achievement of electronic structure theory. Recently, a revised and restored form (r$^2$SCAN) has been…
The construction of non-empirical density functional approximations is typically guided by the satisfaction of exact constraints. An important constraint is the recovery of the gradient expansion for slowly varying electron densities. In…
We consider a class of simplified models of dynamical electroweak symmetry breaking built in terms of their five-dimensional weakly-coupled gravity duals, in the spirit of bottom-up holography. The sigma-model consists of two abelian gauge…
The recent major modification, r$^2$SCAN, of the SCAN (strongly constrained and appropriately normed) meta-GGA exchange-correlation functional is shown to give substantially better spin-crossover electronic energies (high spin minus low…
The phenomenology associated with gauge-mediated supersymmetry breaking is presented. A renormalization group analysis of the minimal model is performed in which the constraints of radiative electroweak symmetry breaking are imposed. The…
Computationally-efficient semilocal approximations of density functional theory at the level of the local spin density approximation (LSDA) or generalized gradient approximation (GGA) poorly describe weak interactions. We show improved…
Symmetry in mixed quantum states can manifest in two distinct forms: strong symmetry, where each individual pure state in the quantum ensemble is symmetric with the same charge, and weak symmetry, which applies only to the entire ensemble.…
In the context of supersymmetric $SO(10)$ grand unified models, it is shown that the gauge symmetry breaking as well as a natural doublet--triplet splitting can be achieved with a minimal Higgs system consisting of a single adjoint and a…
We study symmetry breaking in the mean field solutions to the 2 electron hydrogen molecule within Kohn Sham (KS) local spin density function theory with Dirac exchange (the XLDA model). This simplified model shows behavior related to that…
A central aim of materials discovery is an accurate and numerically reliable description of thermodynamic properties, such as the enthalpies of formation and decomposition. The r$^2$SCAN revision of the strongly constrained and…
The conventional Skyrme interaction is generalized by adding zero-range charge-symmetry-breaking and charge-independence-breaking terms, and the corresponding energy density functional is derived. It is shown that the extended model…
We show how exact diagonalization of small clusters can be used as a fast and reliable impurity solver by determining the phase diagram and physical properties of the bosonic single-impurity Anderson model. This is specially important for…
After an introduction recalling that we expect low energy supersymmetry to be part of our description of nature because of considerable indirect evidence and successful predictions, and a discussion of the essential role of data for…
Kohn-Sham density functional theory (DFT) is nowadays widely used for electronic structure theory simulations, and the accuracy and efficiency of DFT rely on approximations of the exchange-correlation functional. By inclusion of the kinetic…