相关论文: Correlations in Many Electron Systems: Theory and …

Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…

We present a new approximation to ionic conductivity well suited to dynamical atomic-scale simulations, based on the Nernst-Einstein equation. In our approximation, ionic aggregates constitute the elementary charge carriers, and are…

We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…

The development of atomic many-body methods, capable of incorporating electron correlation effects accurately, is required for isotope shift (IS) studies. In combination with precise measurements, such calculations help to extract nuclear…

We consider one-dimensional (1D) interacting electrons beyond the Dzyaloshinskii-Larkin theorem, i.e., keeping forward scattering interactions among the electrons but adding a non-linear correction to the electron dispersion relation. The…

We study the relaxation of a non-equilibrium carrier distribution under the influence of the electron-electron interaction in the presence of disorder. Based on the Anderson model, our Hamiltonian is composed from a single particle part…

The concept of correlation is central to all approaches that attempt the description of many-body effects in electronic systems. Multipartite correlation is a quantum information theoretical property that is attributed to quantum states…

Inclusive electron scattering off few-nucleon systems is investigated at $x>1$ and high momentum transfer, including the contributions from quasi-elastic and deep inelastic scattering processes. It is shown that at $x>1$ the inclusive cross…

We find an integrable generalization of the BCS model with non-uniform Coulomb and pairing interaction. The Hamiltonian is integrable by construction since it is a functional of commuting operators; these operators, which therefore are…

We numerically examine divergences of the total energy in metallic systems of approximate many-body theories using Hartree--Fock as a reference, including perturbative (M\oller-Plesset, MP), coupled cluster (CC) and configuration…

We present the systematic QED treatment of the electron correlation effects on the $g$ factor of lithiumlike ions for the wide range of nuclear charge number $Z= 14$ -- $82$. The one- and two-photon exchange corrections are evaluated…

To treat effects of electron correlations in geometrically frustrated pyrochlore and checkerboard lattices, an extended single-orbital Hubbard model with nearest neighbor hopping $\sim t$ and Coulomb repulsion $\sim V$ is applied. Infinite…

In order to extend the Landauer formulation of quantum transport to correlated fermions, we consider a spinless system in which charge carriers interact, connected to two reservoirs by non-interacting one-dimensional leads. We show that the…

These lectures provide an introduction to the theory of disordered interacting electron systems. In particular, we concentrate on those aspects which are fundamental for the problem of the metal-insulator transition due to the interplay of…

Electric, thermal and thermoelectric transport in correlated electron systems probe different aspects of the many-body dynamics, and thus provide complementary information. These are well studied in the low- and high-temperature limits,…

This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of linear and quadratic response theories in describing charge…

The relative energies of different phases or polymorphs of molecular solids can be small, less than a kiloJoule/mol. Reliable description of such energy differences requires high quality treatment of electron correlations, typically beyond…

Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…

In this paper we propose a framework inspired by interacting particle physics and devised to perform clustering on multidimensional datasets. To this end, any given dataset is modeled as an interacting particle system, under the assumption…

A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…