相关论文: Frontier Orbitals and Quasiparticle Energy Levels …
We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of…
We present a series of theoretical studies of the boundary between a superfluid and normal region in a partially polarized gas of strongly interacting fermions. We present mean-field estimates of the surface energy in this boundary as a…
In moderately-coupled plasmas, a significant fraction of the internal energy resides in electric fields. As these plasmas are heated or compressed, the shifting partition of energy between particles and fields leads to surprising effects,…
We use direct numerical simulations to investigate the interaction between the temperature field of a fluid and the temperature of small particles suspended in the flow, employing both one and two-way thermal coupling, in a statistically…
Using many-body perturbation theory within the $G_0W_0$ approximation, we explore routes for computing the ionization potential (IP), electron affinity (EA), and fundamental gap of three gas-phase molecules -- benzene, thiophene, and (1,4)…
We report on the effects of electron collision and indirect ionization processes, occurring at photoexcitation and electron kinetic energies well below 30 eV on the photoemission spectra of liquid water. We show that the nascent…
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [J. Chem. Phys.…
We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index…
Although at temperatures $T\gg \Lambda_{QCD}$ the quark-gluon plasma (QGP) is a gas of weakly interacting quasiparticles (modulo long-range magnetism), it is strongly interacting (sQGP) in the temperature range $(1-3) T_c$. One aspect of…
A recently developed statistical mechanical Quasi-Chemical Theory (QCT) has led to significant insights into solvation phenomena for both hydrophilic and hydrophobic solutes. The QCT exactly partitions solvation free energies into three…
We propose that the energy-dependent spatial modulation of the local density of states seen by Hoffman, et al [hoff2] is due to the scattering interference of quasiparticles. In this paper we present the general theoretical basis for such…
We construct a family of equations of state within a quasiparticle model by relating pressure, energy density, baryon density and susceptibilities adjusted to first-principles lattice QCD calculations. The relation between pressure and…
Rydberg atoms and beams of ultracold polar molecules have become highly useful experimental tools in recent years. There is therefore a need for accessible calculations of interaction potentials between such particles and nearby surfaces…
A model of a strongly correlated electron liquid based on the fermion condensation (FC) is applied to the consideration of high temperature superconductors in its superconducting and normal states. Within our model the appearance of FC…
Electronic excitations and optical spectra of $CdF_{2}$ are calculated up to ultraviolet employing state-of-the-art techniques based on density functional theory and many-body perturbation theory. The GW scheme proposed by Hedin has been…
We provide a rigorous justification of the semiclassical quasi-neutral and the quantum many-body limits to the isothermal Euler equations. We consider the nonlinear Schr\"{o}dinger-Poisson-Boltzmann system under a quasi-neutral scaling and…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…
The Fermi liquid theory may provide a good description of the thermodynamic properties of an interacting particle system when the interaction between the particles contributes to the total energy of the system with a quantity which may…
Hedin's $GW$ approximation to the electronic self-energy has been impressively successful to calculate quasiparticle energies, such as ionization potentials, electron affinities, or electronic band structures. The success of this fairly…
We propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory.…