4,271 research outputs found
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, is
generally sufficient in three dimensional studies, where 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 ). 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
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