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

In this work we include electron-electron interaction beyond Hartree-Fock level in our non-equilibrium Green's function approach by a crude form of GW through the Single Plasmon Pole Approximation. This is achieved by treating all…

In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…

We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…

This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…

We show that many-body systems with conserved particle number which have the symmetries corresponding to a nonsymmorphic space group have low lying excitations for certain integer values of the particle number per unit cell. These results…

The short range repulsion between nucleons is treated by a unitary correlation operator which shifts the nucleons away from each other whenever their uncorrelated positions are within the replusive core. By formulating the correlation as a…

Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…

We show that the Zassenhaus decomposition for the exponential of the sum of two non-commuting operators, simplifies drastically when these operators satisfy a simple condition, called the no-mixed adjoint property. An important application…

A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…

The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…

Small clusters of $^4$He atoms provide a paradigmatic setting for exploring universal phenomena in few-body quantum systems with large scattering length. Their weakly bound states serve as ideal test cases for studying Efimov physics and…

Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather…

We review the Lorentz integral transform coupled-cluster method for the calculation of the electric dipole polarizability. We benchmark our results with exact hyperspherical harmonics calculations for 4He and then we move to a heavier…

The LSDA+U approach to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site…

Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…

Quantum field-theory is developed for treating electrons and holes in planar systems. Non-unitary representations of Dirac equation in the plane are developed. These equations can be used for treating holes-electron pairing in high TC…

The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…

We consider M clusters of interacting particles, whose in-group interactions are arbitrary, and inter-group interactions are approximated by oscillator potentials. We show that there are masses and frequencies that decouple the in-group and…

The Hubbard model is a prototype for strongly correlated electrons in condensed matter, for molecules and fermions or bosons in optical lattices. While the equilibrium properties of these systems have been studied in detail, the excitation…

Ultrashort non-resonant electromagnetic pulses applied to effective one-electron systems may operate on the electronic state as a position or momentum translation operator. As derived here, extension to many-body correlated systems exposes…