Related papers: Multifractality of ab initio wave functions in dop…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
We study generalized multifractality characterizing fluctuations and correlations of eigenstates in disordered systems of symmetry classes AII, D, and DIII. Both metallic phases and Andersonlocalization transitions are considered. By using…
One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems…
A brief review of metal-insulator transitions in three-dimensional doped semiconductors, with emphasis on the "critical exponent puzzle"; and new experimental findings that signal the possibility of an unexpected metal-insulator transition…
We propose a comprehensive field-based semianalytical method for designing fabrication-ready multifunctional periodic metasurfaces (MSs). Harnessing recent work on multielement metagratings based on capacitively-loaded strips, we have…
Multipolar magnetic phases in correlated insulators represent a great challenge for Density Functional Theory (DFT) due to the coexistence of intermingled interactions, typically spin-orbit coupling, crystal field and complex non-collinear…
We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT)…
The oscillation coupling and different nonlinear effects are observed in a single trapped $^{40}Ca^{+}$ ion confined in our home-built surface-electrode trap (SET). The coupling and the nonlinearity are originated from the high-order…
We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $\alpha$-(BETS)$_2$I$_3$ [= $\alpha$-(BEDT-TSeF)$_2$I$_3$] at a low temperature of 30K.…
The quasiparticle states around a nonmagnetic impurity in electron-doped iron-based superconductors with spin-density-wave (SDW) order are investigated as a function of doping and impurity scattering strength. In the undoped sample, where a…
We present compact integrated speckle spectrometers based on monofractal and multifractal scattering media in a silicon-on-insulator platform. Through both numerical and experimental studies we demonstrate enhanced optical throughput, and…
Let $\{a_n(x)\}_{n\geq1}$ be the sequence of digits of $x\in(0,1)$ in infinite iterated function systems with polynomial decay of the derivative. We first study the multifractal spectrum of the convergence exponent defined by the sequence…
We analyze the multifractality of the fidelity in an engineered Toffoli gate. Using quantum control methods, we define several optimization problems whose global solutions realize the gate in a chain of three qubits with XY Heisenberg…
Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the…
We present a critical analysis of the popular fragment-orbital density-functional theory (FO-DFT) scheme for the calculation of electronic coupling values. We discuss the characteristics of different possible formulations or 'flavors' of…
We formulate elementary SFT spectral invariants of a large class of symplectic cobordisms and stable Hamiltonian manifolds, in any dimension. We give criteria for the strong closing property using these invariants, and verify these criteria…
Density-functional Theory (DFT) approaches have recently been used to judge the topological order of various materials despite its well-known band gap underestimation. Use of the more accurate quasi-particle GW approach reveals here few…
The construction of modified equations is an important step in the backward error analysis of symplectic integrator for Hamiltonian systems. In the context of partial differential equations, the standard construction leads to modified…
Empirical fitting of parameters in approximate density functionals is common. Such fits conflate errors in the self-consistent density with errors in the energy functional, but density-corrected DFT (DC-DFT) separates these two. We…
We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…