Related papers: Density-matrix functionals for pairing in mesoscop…
We study the structure of the number projected BCS (PBCS) wave function in the particle-hole basis, displaying its similarities with coupled clusters theory (CCT). The analysis of PBCS together with several modifications suggested by the…
The charge transport properties of zero-temperature multi-orbital quantum dot systems with one dot coupled to leads and the other dots coupled only capacitatively are studied within density functional theory. It is shown that the setup is…
Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…
The possible pairing symmetries for BiS$_{2}-$based superconductors is investigated by using a minimal two-orbital model with onsite and nearest-neighbor intraorbital attractions $V_{0}$ and $V_{1}$, respectively. By using the mean-field…
High-Tc superconductivity in layered cuprates is described in a BCS-BEC formalism with linearly-dispersive s- and d-wave Cooper pairs moving in quasi-2D finite-width layers about the CuO_2 planes. This yields a closed formula for Tc…
The Energy Density Functional theory is one of the most used methods developed in nuclear structure. It is based on the assumption that the energy of the ground state is a functional only of the density profile. The method is extremely…
Common density-matrix functionals, the M\"uller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem and the transition from the weakly to the strongly…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
Pairing is the fundamental requirement for fermionic superfluidity and superconductivity. To understand the mechanism behind pair formation is an ongoing challenge in the study of many strongly correlated fermionic systems. Cooper pairs are…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
A new density functional theory (DFT) exchange-correlation functional for the exploration of reaction mechanisms is proposed. This new functional, denoted BMK (Boese-Martin for Kinetics), has an accuracy in the 2 kcal/mol range for…
In contrast to the original Kohn-Sham (KS) formalism, we propose a density functional theory (DFT) with fractional orbital occupations for the study of ground states of many-electron systems, wherein strong static correlation is shown to be…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…
Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…
We outline a microscopic approach to the superconducting fluctuations and pairing correlations in the attractive Hubbard model above Tc, using the functional integral method. A crossover from BCS superconductivity to Bose condensation of…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
The density matrix, \rho, of a model polariton system is obtained numerically from a master equation which takes account of pumping and losses. In the stationary limit, the coherences between eigenstates of the Hamiltonian are three orders…
We reconsider the fermion spectral function in the presence of the Cooper pair condensation and identified the interaction type of complex scalar and fermion, which gives consistent results with the expected s-wave superconductor for the…
This contribution will survey recent progress toward an understanding of diverse pairing phenomena in dilute nuclear matter at small and moderate isospin asymmetry, with results of potential relevance to supernova envelopes and…
We study the effect of the chemical potential on the results of the BCS theory of superconductivity. We assume that the pairing interaction is manifested between electrons of single-particle energies in an interval $[\mu - \hbar\omega_c,…