Impact of Interatomic Electronic Decay Processes on Xe 4d Hole Decay in the Xenon Fluorides

A hole in a 4d orbital of atomic xenon relaxes through Auger decay after a lifetime of 3 fs. Adding electronegative fluorine ligands to form xenon fluoride molecules, results in withdrawal of valence-electron density from Xe. Thus, within the one-center picture of Auger decay, a lowered Xe 4d Auger width would be expected, in contradiction, however, with experiment. Employing extensive ab initio calculations within the framework of many-body Green's functions, we determine all available decay channels in XeFn and characterize these channels by means of a two-hole population analysis. We derive a relation between two-hole population numbers and partial Auger widths. On this basis, interatomic electronic decay processes are demonstrated to be so strong in the xenon fluorides that they overcompensate the reduction in intra-atomic Auger width and lead to the experimentally observed trend. The nature of the relevant processes is discussed. These processes presumably underlie Auger decay in a variety of systems.Comment: 11 pages, 5 figures, 3 tables, RevTeX4, extensively revised, the discussion of single ionization of XeFn was published separately: J. Chem. Phys. 119, 7763--7771 (2003), preprint arXiv: physics/030612

Quantum optimal control of photoelectron spectra and angular distributions

Photoelectron spectra and photoelectron angular distributions obtained in photoionization reveal important information on e.g. charge transfer or hole coherence in the parent ion. Here we show that optimal control of the underlying quantum dynamics can be used to enhance desired features in the photoelectron spectra and angular distributions. To this end, we combine Krotov's method for optimal control theory with the time-dependent configuration interaction singles formalism and a splitting approach to calculate photoelectron spectra and angular distributions. The optimization target can account for specific desired properties in the photoelectron angular distribution alone, in the photoelectron spectrum, or in both. We demonstrate the method for hydrogen and then apply it to argon under strong XUV radiation, maximizing the difference of emission into the upper and lower hemispheres, in order to realize directed electron emission in the XUV regime

Quantum Entanglement in Random Physical States

Most states in the Hilbert space are maximally entangled. This fact has proven useful to investigate-among other things-the foundations of statistical mechanics. Unfortunately, most states in the Hilbert space of a quantum many-body system are not physically accessible. We define physical ensembles of states acting on random factorized states by a circuit of length k of random and independent unitaries with local support. We study the typicality of entanglement by means of the purity of the reduced state. We find that for a time k = O(1), the typical purity obeys the area law. Thus, the upper bounds for area law are actually saturated, on average, with a variance that goes to zero for large systems. Similarly, we prove that by means of local evolution a subsystem of linear dimensions L is typically entangled with a volume law when the time scales with the size of the subsystem. Moreover, we show that for large values of k the reduced state becomes very close to the completely mixed state

Exact infinite-time statistics of the Loschmidt echo for a quantum quench

The equilibration dynamics of a closed quantum system is encoded in the long-time distribution function of generic observables. In this paper we consider the Loschmidt echo generalized to finite temperature, and show that we can obtain an exact expression for its long-time distribution for a closed system described by a quantum XY chain following a sudden quench. In the thermodynamic limit the logarithm of the Loschmidt echo becomes normally distributed, whereas for small quenches in the opposite, quasi-critical regime, the distribution function acquires a universal double-peaked form indicating poor equilibration. These findings, obtained by a central limit theorem-type result, extend to completely general models in the small-quench regime.Comment: 4 pages, 2 figure

Sensitivity of nonlinear photoionization to resonance substructure in collective excitation

Collective behaviour is a characteristic feature in many-body systems, important for developments in fields such as magnetism, superconductivity, photonics and electronics. Recently, there has been increasing interest in the optically nonlinear response of collective excitations. Here we demonstrate how the nonlinear interaction of a many-body system with intense XUV radiation can be used as an effective probe for characterizing otherwise unresolved features of its collective response. Resonant photoionization of atomic xenon was chosen as a case study. The excellent agreement between experiment and theory strongly supports the prediction that two distinct poles underlie the giant dipole resonance. Our results pave the way towards a deeper understanding of collective behaviour in atoms, molecules and solid-state systems using nonlinear spectroscopic techniques enabled by modern short-wavelength light sources

Complexity of a Discrete-Time Predator-Prey Model Involving Prey Refuge Proportional to Predator

In this paper, a discrete-time predator-prey model involving prey refuge proportional to predator density is studied. It is assumed that the rate at which prey moves to the refuge is proportional to the predator density. The fixed points, their local stability, and the existence of Neimark-Sacker bifurcation are investigated. At last, the numerical simulations consisting of bifurcation diagrams, phase portraits, and time-series are given to support analytical findings. The occurrence of chaotic solutions are also presented by showing the Lyapunov exponent while some parameters are varied

Gas-Liquid Nucleation in Two Dimensional System

We study the nucleation of the liquid phase from a supersaturated vapor in two dimensions (2D). Using different Monte Carlo simulation methods, we calculate the free energy barrier for nucleation, the line tension and also investigate the size and shape of the critical nucleus. The study is carried out at an intermediate level of supersaturation(away from the spinodal limit). In 2D, a large cut-off in the truncation of the Lennard-Jones (LJ) potential is required to obtain converged results, whereas low cut-off (say, $2.5\sigma$ is generally sufficient in three dimensional studies, where $\sigma$ is the LJ diameter) leads to a substantial error in the values of line tension, nucleation barrier and characteristics of the critical cluster. It is found that in 2D, the classical nucleation theory (CNT) fails to provide a reliable estimate of the free energy barrier. It underestimates the barrier by as much as 70% at the saturation-ratio S=1.1 (defined as S=P/PC, where PC is the coexistence pressure at reduced temperature $T^{\star}= 0.427$). Interestingly, CNT has been found to overestimate the nucleation free energy barrier in three dimensional (3D)systems near the triple point. In fact, the agreement with CNT is worse in 2D than in 3D. Moreover, the existing theoretical estimate of the line tension overestimates the value significantly.Comment: 24 pages, 8 figure