Related papers: Current-spin-density functional study of persisten…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
An emerging paradigm in modern electronics is that of CMOS + $\sf X$ requiring the integration of standard CMOS technology with novel materials and technologies denoted by $\sf X$. In this context, a crucial challenge is to develop accurate…
Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…
To understand the role of electron correlation and disorder on persistent currents in isolated 1D rings threaded by magnetic flux $\phi$, we study the behavior of persistent currents in aperiodic and ordered binary alloy rings. These…
Density Functional Resonance Theory (DFRT) is a complex-scaled version of ground-state Density Functional Theory (DFT) that allows one to calculate the resonance energies and lifetimes of metastable anions. In this formalism, the exact…
We study the current magnification effect in presence of exchange scattering of electron from a magnetic impurity placed in one arm of an open mesoscopic ring. The exchange interaction causes entanglement of electron spin and impurity spin.…
In this work, we investigate the magnetic response by examining flux-driven circular currents in a Su-Schrieffer-Heeger (SSH) tight-binding (TB) ring threaded by an Aharonov-Bohm (AB) flux, $\phi$. We consider both non-interacting and…
We present a study of the prospects for coherence preservation in solid-state spin qubits using dynamical decoupling protocols. Recent experiments have provided the first demonstrations of multipulse dynamical decoupling sequences in this…
In recent years, a method for computing spin dynamics at infinite temperature (spinDMFT) was developed. It utilizes the ideas of dynamical mean-field theory for fermions: single-site approximation and a self-consistency condition to…
We extend the density-functional theory for superconductors (SCDFT) to take account of the dynamical structure of the screened Coulomb interaction. We construct an exchange-correlation kernel in the SCDFT gap equation on the basis of the…
Density functional theory (DFT) is widely used to predict chemical properties, but its accuracy is limited by functional approximations and their approximate self-consistent densities. Density-corrected DFT (DC-DFT) is the study of the…
The spin-orbit coupling systems with a zero magnetic field is studied under the equilibrium situation, {\it i.e.}, without a voltage bias. A persistent spin current is predicted to exist under most circumstances, although the persistent…
We consider the increase of the spatial variance of some inhomogeneous, non-equilibrium density (particles, energy, etc.) in a periodic quantum system of condensed matter-type. This is done for a certain class of initial quantum states…
Mesoscopic systems have provided an opportunity to study quantum effects beyond the atomic realm. In these systems quantum coherence prevails over the entire sample. We discuss several novel effects related to persistent currents in open…
Classical density functional theory (DFT) is a powerful framework to study inhomogeneous fluids. Its standard form is based on the knowledge of a generating free energy functional. If this is known exactly, then the results obtained by…
We present numerical results for the zero temperature persistent currents carried by interacting spinless electrons in disordered one dimensional continuous rings. The disorder potential is described by a collection of delta-functions at…
For precision coherent measurements with ensembles of quantum spins the relevant Figure-of-Merit (FOM) is the product of polarized spin density and coherence lifetime, which is generally limited by the dynamics of the spin environment.…
In the present thesis we study absorption spectra of spin polarized isolated systems. Thus we introduce the density functional theory (DFT) formalism and its time dependent extension (TDDFT) together with the approximation used. In…
We calculate the density of states for an interacting quantum wire in the presence two impurities of arbitrary potential strength. To perform this calculation, we describe the Coulomb interactions in the wire within the Tomonaga-Luttinger…