相关论文: $\textit{Ab initio}$ downfolding based on the GW a…
We present ab initio two-dimensional extended Hubbard-type multiband models for EtMe_3Sb[Pd(dmit)_2]_2 and \kappa-(BEDT-TTF)_2Cu(NCS)_2, after a downfolding scheme based on the constrained random phase approximation (cRPA) and…
We prove that the family of non-linear $W$-algebras $SW(3/2,2)$ which are extensions of the $N=1$ superconformal algebra by a primary supercurrent of conformal weight $2$ can be realized as a quantum Hamiltonian reduction of the Lie…
Using a directional spherical wavelet analysis we detect the integrated Sachs-Wolfe (ISW) effect, indicated by a positive correlation between the Wilkinson Microwave Anisotropy Probe (WMAP) and NRAO VLA Sky Survey (NVSS) data, at the 3.9…
Infinite-layer nickelate superconductors have recently been discovered to share both similarities and differences with cuprate superconductors. Notably, the incorporation of hydrogen (H) through topotactic reduction has been found to play a…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…
It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without…
We construct a Laplacian-level meta-generalized gradient approximation (meta-GGA) for the non-interacting (Kohn-Sham orbital) positive kinetic energy density $\tau$ of an electronic ground state of density $n$. This meta-GGA is designed to…
We propose worldsheet formulae for wavefunction coefficients of the massive non-linear sigma model (NLSM), scalar Dirac-Born-Infeld (DBI), and special Galileon (sGal) theories in de Sitter momentum space in terms of the recently proposed…
Employing combination of first-principles calculations, low-energy model construction, and variational Monte Carlo solution of the ab-initio derived Hubbard model, we study the effect of hydrogenation in the electronic structure and…
Strong correlation effects, which are often associated to the approach to a Mott insulating state, in some cases may be observed even far from half-filling. This typically happens whenever the inter-site Coulomb repulsion induces a tendency…
Motivated by recent experiments reporting unconventional collective modes in the charge density-wave (CDW) state of rare-earth tritellurides $R$Te$_3$, we derive from a multi-orbital microscopic model on the square net a CDW Ginzburg-Landau…
Numerical solutions to the nonlinear sigma model (NLSM), a wave map from 3+1 Minkowski space to S^3, are computed in three spatial dimensions (3D) using adaptive mesh refinement (AMR). For initial data with compact support the model is…
The correlated electronic structure of the infinite-layer compounds NdNiO$_2$ and SrCuO$_2$ at stoichiometry and with finite hole doping is compared. Key differences are elucidated from an advanced first-principles many-body perspective.…
By analogy with the Ginzburg-Landau theory of multi-band superconductors with inner (interband) Josephson couplings we formulate the three-band Glashow-Weinberg-Salam model with weak Josephson couplings between strongly asymmetrical…
A higher grading affine algebraic construction of integrable hierarchies, containing the Wadati-Konno-Ichikawa (WKI) hierarchy as a particular case, is proposed. We show that a two-component generalization of the Sch\" afer-Wayne short…
Dimensional reduction in two dimensions of gravity in higher dimension, or more generally of d=3 gravity coupled to a sigma-model on a symmetric space, is known to possess an infinite number of symmetries. We show that such a bidimensional…
Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…
We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital…
We present an approach that combines the local density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane waves (FLAPW) method. Wannier-like functions for the…