相关论文: Theorems on ground-state phase transitions in Kohn…

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…

While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…

We solve a very general two-channel fermion-boson model describing charge transport within some background medium by means of a refined pseudo-site density matrix renormalization group (DMRG) technique. Performing a careful finite-size…

We study the non-integrable Dicke model, and its integrable approximation, the Tavis-Cummings model, as functions of both the coupling constant and the excitation energy. Excited-state quantum phase transitions (ESQPT) are found analyzing…

This paper establishes the applicability of density functional theory methods to quantum computing systems. We show that ground-state and time-dependent density functional theory can be applied to quantum computing systems by proving the…

A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…

In the well-known Kohn-Sham theory in Density Functional Theory, a fictitious non-interacting system is introduced that has the same particle density as a system of $N$ electrons subjected to mutual Coulomb repulsion and an external…

We explore systematically the ground state properties of one dimensional fermions with long-range interactions decaying in a power law $\sim1/r^\alpha$ through the density matrix renormalization group algorithm. By comparing values of…

Quantum phase transitions and observables of interest of the ground state in the Tavis-Cummings model are analyzed, for any number of atoms, by using a tensorial product of coherent states. It is found that this "trial" state constitutes a…

Observation indicates that the expansion of the Universe is accelerating and favours a dynamical cosmological constant, \Lambda(t). We consider the possibility that this is due to a scalar field which has undergone a very recent phase…

A combination of dynamical mean field theory and density functional theory, as implemented in Phys. Rev. B 81, 195107 (2010), is applied to both the early and late transition metal oxides. For fixed value of the local Coulomb repulsion,…

The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…

We present a simple classification of the different liquid and solid phases of quantum Hall systems in the limit where the Coulomb interaction between the electrons is significant, i.e. away from integral filling factors. This…

Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…

Over the years, several schemes have been proposed to describe multireference systems with Kohn-Sham Density Functional Theory. Problematic is the combination of two aspects: the Kohn-Sham reference wavefunction is usually taken to be a…

We propose a device for studying the Fermi-Hubbard model with long-range Coulomb interactions using an array of quantum dots defined in a semiconductor two-dimensional electron gas system. Bands with energies above the lowest energy band…

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

We prove sharp density upper bounds on optimal length-scales for the ground states of classical 2D Coulomb systems and generalizations thereof. Our method is new, based on an auxiliary Thomas-Fermi-like variational model. Moreover, we…

We construct a density functional theory for two-dimension electron (hole) gases subjected to both strong magnetic fields and external potentials. In particular, we are focused on regimes near even-denominator filling factors, in which the…

We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…