Correlation effects in bistability at the nanoscale: steady state and beyond

The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external bias and the non-equilibrium properties are determined by real-time propagation using both time-dependent density functional theory (TDDFT) and many-body perturbation theory (MBPT). In TDDFT the exchange-correlation effects are described within a recently proposed adiabatic local density approximation (ALDA). In MBPT the electron-electron interaction is incorporated in a many-body self-energy which is then approximated at the Hartree-Fock (HF), second-Born (2B) and GW level. Assuming the existence of a steady-state and solving directly the steady-state equations we find multiple solutions in the HF approximation and within the ALDA. In these cases we investigate if and how these solutions can be reached through time evolution and how to reversibly switch between them. We further show that for the same cases the inclusion of dynamical correlation effects suppresses bistability.Comment: 13 pages, 12 figure

Levels of self-consistency in the GW approximation

We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further propose a partially self-consistent $GW$ scheme in which we keep the correlation part of the self-energy fixed within the self-consistency cycle. This approximation is compared to the fully self-consistent $GW$ results and to the $G W_0$ and the $G_0W_0$ approximations. Total energies, ionization potentials and two-electron removal energies obtained with our partially self-consistent $GW$ approximation are in excellent agreement with fully self-consistent $GW$ results while requiring only a fraction of the computational effort. We also find that self-consistent and partially self-consistent schemes provide ionization energies of similar quality as the $G_0W_0$ values but yield better total energies and energy differences.Comment: 11 pages, 3 figures, 3 table

Kadanoff-Baym approach to time-dependent quantum transport in AC and DC fields

We have developed a method based on the embedded Kadanoff-Baym equations to study the time evolution of open and inhomogeneous systems. The equation of motion for the Green's function on the Keldysh contour is solved using different conserving many-body approximations for the self-energy. Our formulation incorporates basic conservation laws, such as particle conservation, and includes both initial correlations and initial embedding effects, without restrictions on the time-dependence of the external driving field. We present results for the time-dependent density, current and dipole moment for a correlated tight binding chain connected to one-dimensional non-interacting leads exposed to DC and AC biases of various forms. We find that the self-consistent 2B and GW approximations are in extremely good agreement with each other at all times, for the long-range interactions that we consider. In the DC case we show that the oscillations in the transients can be understood from interchain and lead-chain transitions in the system and find that the dominant frequency corresponds to the HOMO-LUMO transition of the central wire. For AC biases with odd inversion symmetry odd harmonics to high harmonic order in the driving frequency are observed in the dipole moment, whereas for asymmetric applied bias also even harmonics have considerable intensity. In both cases we find that the HOMO-LUMO transition strongly mixes with the harmonics leading to harmonic peaks with enhanced intensity at the HOMO-LUMO transition energy.Comment: 16 pages, 9 figures. Submitted at "Progress in Nonequilibrium Green's Functions IV" conferenc

Special features of the 9^9Be→\to2He fragmentation in emulsion at an energy of 1.2~A~GeV

The results of investigations of the relativistic $^9$Be nucleus fragmentation in emulsion which entails the production of two He fragments of an energy of 1.2~A~GeV are presented. The results of the angular measurements of the $^9$Be$\to$2He events are analyzed. The $^9$Be$\to^8$Be+n fragmentation channel involving the $^8$Be decay from the ground (0$^+$) and the first excited (2$^+$) states to two $\alpha$ particles is observed to be predominant.Comment: 10 pages, 6 figures, conference: Conference on Physics of Fundamental Interactions, Moscow, Russia, 5-9 Dec 2005 (Author's translation

Lattice model of gas condensation within nanopores

We explore the thermodynamic behavior of gases adsorbed within a nanopore. The theoretical description employs a simple lattice gas model, with two species of site, expected to describe various regimes of adsorption and condensation behavior. The model includes four hypothetical phases: a cylindrical shell phase (S), in which the sites close to the cylindrical wall are occupied, an axial phase (A), in which sites along the cylinder's axis are occupied, a full phase (F), in which all sites are occupied, and an empty phase (E). We obtain exact results at T=0 for the phase behavior, which is a function of the interactions present in any specific problem. We obtain the corresponding results at finite T from mean field theory. Finally, we examine the model's predicted phase behavior of some real gases adsorbed in nanopores

Topology of "white" stars in relativistic fragmentation of light nuclei

In the present paper, experimental observations of the multifragmentation processes of light relativistic nuclei carried out by means of emulsions are reviewed. Events of the type of "white" stars in which the dissociation of relativistic nuclei is not accompanied by the production of mesons and the target-nucleus fragments are considered. A distinctive feature of the charge topology in the dissociation of the Ne, Mg, Si, and S nuclei is an almost total suppression of the binary splitting of nuclei to fragments with charges higher than 2. The growth of the nuclear fragmentation degree is revealed in an increase in the multiplicity of singly and doubly charged fragments with decreasing charge of the non-excited part of the fragmenting nucleus. The processes of dissociation of stable Li, Be, B, C, N, and O isotopes to charged fragments were used to study special features of the formation of systems consisting of the lightest $\alpha$, d, and t nuclei. Clustering in form of the $^3$He nucleus can be detected in "white" stars via the dissociation of neutron-deficient Be, B, C, and N isotopes.Comment: 20 pages, 3 figures, 9 tables, conference: Conference on Physics of Fundamental Interactions, Moscow, Russia, 1-5 Mar 2004.(Author's translation

Total energies from variational functionals of the Green function and the renormalized four-point vertex

We derive variational expressions for the grand potential or action in terms of the many-body Green function $G$ which describes the propagation of particles and the renormalized four-point vertex $\Gamma$ which describes the scattering of two particles in many-body systems. The main ingredient of the variational functionals is a term we denote as the $\Xi$-functional which plays a role analogously to the usual $\Phi$-functional studied by Baym (G.Baym, Phys.Rev. 127, 1391 (1962)) in connection with the conservation laws in many-body systems. We show that any $\Xi$-derivable theory is also $\Phi$-derivable and therefore respects the conservation laws. We further set up a computational scheme to obtain accurate total energies from our variational functionals without having to solve computationally expensive sets of self-consistent equations. The input of the functional is an approximate Green function $\tilde{G}$ and an approximate four-point vertex $\tilde{\Gamma}$ obtained at a relatively low computational cost. The variational property of the functional guarantees that the error in the total energy is only of second order in deviations of the input Green function and vertex from the self-consistent ones that make the functional stationary. The functionals that we will consider for practical applications correspond to infinite order summations of ladder and exchange diagrams and are therefore particularly suited for applications to highly correlated systems. Their practical evaluation is discussed in detail.Comment: 21 pages, 10 figures. Physical Review B (accepted

Energy- and Cost-Efficient Pumping Station Control

With renewable energy becoming more common, energy prices fluctuate more depending on environmental factors such as the weather. Consuming energy without taking volatile prices into consideration can not only become expensive, but may also increase the peak load, which requires energy providers to generate additional energy using less environment-friendly methods. In the Netherlands, pumping stations that maintain the water levels of polder canals are large energy consumers, but the controller software currently used in the industry does not take real-time energy availability into account. We investigate if existing AI planning techniques have the potential to improve upon the current solutions. In particular, we propose a light weight but realistic simulator and investigate if an online planning method (UCT) can utilise this simulator to improve the cost-efficiency of pumping station control policies. An empirical comparison with the current control algorithms indicates that substantial cost, and thus peak load, reduction can be attained

Low-Temperature Mobility of Surface Electrons and Ripplon-Phonon Interaction in Liquid Helium

The low-temperature dc mobility of the two-dimensional electron system localized above the surface of superfluid helium is determined by the slowest stage of the longitudinal momentum transfer to the bulk liquid, namely, by the interaction of surface and volume excitations of liquid helium, which rapidly decreases with temperature. Thus, the temperature dependence of the low-frequency mobility is \mu_{dc} = 8.4x10^{-11}n_e T^{-20/3} cm^4 K^{20/3}/(V s), where n_e is the surface electron density. The relation T^{20/3}E_\perp^{-3} << 2x10^{-7} between the pressing electric field (in kV/cm) and temperature (in K) and the value \omega < 10^8 T^5 K^{-5}s^{-1} of the driving-field frequency have been obtained, at which the above effect can be observed. In particular, E_\perp = 1 kV/cm corresponds to T < 70 mK and \omega/2\pi < 30 Hz.Comment: 4 pages, 1 figur