Related papers: Level occupation switching with density functional…
Using a stochastic quantum approach, we study thermoelectric transport phenomena at low temperatures in disordered electrical systems connected to external baths. We discuss three different models of one-dimensional disordered electrons,…
Exchange interaction within a quantum dot strongly affects the transport through it in the Kondo regime. In a striking difference with the results of the conventional model, where this interaction is neglected, here the temperature and…
The out-of-equilibrium transport properties of a double quantum dot system in the Kondo regime are studied theoretically by means of a two-impurity Anderson Hamiltonian with inter-impurity hopping. The Hamiltonian, formulated in slave-boson…
We have derived a variational principle that defines the nonequilibrium steady-state transport across a correlated impurity mimicking, e.g., a quantum dot coupled to biased leads. This variational principle has been specialized to a…
Experimental nuclear level densities at excitation energies below the neutron threshold follow closely a constant-temperature shape. This dependence is unexpected and poorly understood. In this work, a fundamental explanation of the…
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…
The low energy region of certain transition metal compounds reveals dramatic correlation effects between electrons, which can be studied by photoelectron spectroscopy. Theoretical investigations are often based on multi-orbital impurity…
We initiate a study of finite temperature transport in gapless and strongly coupled quantum theories with charge and dipole conservation using gauge-gravity duality. In a model with non-dynamical gravity, the bulk fields of our model…
The Mott transition in a multi-orbital Hubbard model involving subbands of different widths is studied within the dynamical mean field theory. Using the iterated perturbation theory for the quantum impurity problem it is shown that at low…
In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level model subject to generic interactions in Mermin's DFT…
We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…
We present a fully nonequilibrium calculation of the low temperature transport properties of a quantum dot in the Kondo regime when an AC potential is applied to the gate voltage. We solve a time dependent Anderson model with finite on-site…
While the formal valence and charge state concepts have been tremendously important in materials physics and chemistry, their very loose connection to actual charge leads to uncertainties in modeling behavior and interpreting data. We point…
Site-occupation embedding theory (SOET) is an alternative formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting…
The effect of correlated hopping on the charge and heat transport of strongly correlated particles is studied for the Falicov-Kimball model on the Bethe lattice. Exact solutions for the one particle density of states (DOS) and two particle…
The interaction between excited states of a closed-shell chromophore and a nearby free radical species gives rise to spin-coupled doublet states, namely singdoublet and tripdoublet, as well as a quartet state. This coupling facilitates…
We investigate the spin of a multielectron GaAs quantum dot in a sequence of nine charge occupancies, by exchange coupling the multielectron dot to a neighboring two-electron double quantum dot. For all nine occupancies, we make use of a…
We study the zero-bias conductance through the system of two quantum dots, one of which is embedded directly between the source and drain electrodes, while the second dot is side-coupled to the first one through a tunneling junction.…