相关论文: Frontier Orbitals and Quasiparticle Energy Levels …
The quasiparticle concept is an important tool for the description of many-body systems. We study the quasiparticle properties for dilute Fermi systems with short-ranged, repulsive interactions using effective field theory. We calculate the…
Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this…
The low energy physics of the fractional Hall liquid is described in terms quasiparticles that are qualitatively distinct from electrons. We show, however, that a long-lived electron-like quasiparticle also exists in the excitation…
We present the most accurate up-to-date theoretical values of the {2p_{1/2}}-{2s} and {2p_{3/2}}-{2s} transition energies and the ground-state hyperfine splitting in ${\rm Sc}^{18+}$. All two- and three-electron contributions to the energy…
We consider the relationship between the temperature at which averaged energy landscape properties change sharply ($T_{o}$), and the breakdown of mean-field treatments of the dynamics of supercooled liquids. First, we show that the solution…
The quasiparticle method, which has achieved a great success in solid state electronics and crystal lattice vibration, is adopted to study the solid state ion transport. A general recipe is put forward to map the classical solid state ion…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
A model of a Fermi liquid with the fermion condensate (FC) is applied to the consideration of quasiparticle excitations in high temperature superconductors, in their superconducting and normal states. Within our model the appearance of the…
A quasiparticle band structure of a single layer 2H-NbSe$_2$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape…
We carry out a quantum mechanical analysis of the behavior of nodal quasiparticles in the vortex line liquid phase of planar d-wave superconductors. Applying a novel path integral technique we calculate a number of experimentally relevant…
Room temperature ionic liquids show potential as an alternative to conventional organic membrane solvents mainly due to their properties of low vapor pressure, low volatility and they are often stable. In the present work, the technical…
Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, inparticular, are important for the construction of improved density functionals. Here we investigate one…
Dyson orbitals play an important role in understanding quasi-particle effects in the correlated ground state of a many-particle system and are relevant for describing the Compton scattering cross section beyond the frameworks of the impulse…
We provide an in-depth examination of the $GW$ approximation of Green's function many-body perturbation theory by detailing both its theoretical and practical aspects in the realm of quantum chemistry. First, the quasiparticle context is…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
A single-layer, quasi-geostrophic (QG), large-scale ocean circulation model is developed in this paper to study available ocean current energy potentials harnessed by using the ocean current turbines. Power extraction is modeled by adding a…
System of two-fluid hydrodynamics of superfluid helium with the account of electric field is obtained. These equations are obtained in kinetic approach using quasi-equilibrium distribution function of quasi-particles, which vanishs…
We performed first-principles density functional theory (DFT) and GW calculations to investigate electronic structures of bulk and few-layer PdSe2. We obtained the quasiparticle band structure of bulk PdSe2, and the obtained energy gap…