High-harmonic generation is shown to be capable of providing time-resolved information about the particle density of a complex system. As an example, we study numerically high-harmonic generation from expanding xenon clusters in a pump-probe laser scheme, where the pump laser pulse induces the cluster explosion and the probe pulse generates harmonics in the expanding cluster. We show that the h...

The Particle Swarm Optimization method has proven quite successful in treating a variety of applied problems. Here we further test its capabilities by studying its behavior when applied to a challenging problem, namely the search for energy conformations of atomic clusters. In its simplest form this is known as the Lennard-Jones Problem. Results are compared with those achieved using simple Gen...

We propose a scheme to implement a two-qubit controlled-phase gate for single atomic qubits, which works in principle with nearly ideal success probability and fidelity. Our scheme is based on the cavity input-output process and the single photon polarization measurement. We show that, even with the practical imperfections such as atomic spontaneous emission, weak atom-cavity coupling, violatio...

We present the results of atomistic simulations of metallic atomic-force-microscopy tips interacting with ionic substrates, with atomic resolution. Chromium and tungsten tips are used to image the NaCl(001) and MgO(001) surfaces. The interaction of the tips with the surface is simulated by using density-functional-theory calculations employing a mixed Gaussian and plane-wave basis and cluster-t...

The electric dipole moments of closed-shell atoms are sensitive to the parity and timereversal violating phenomena in the nucleus. The nuclear Schiff moment is one such property, it arises from the parity and time reversal violating quark-quark interactions and the quarkchromo electric dipole moments. We calculate the electric dipole moment of atomic Hg arising from the nuclear Schiff moment us...

We propose a scheme to implement a two-qubit controlled-phase gate for single atomic qubits, which works in principle with nearly ideal success probability and fidelity. Our scheme is based on the cavity input-output process and the single-photon polarization measurement. We show that, even with the practical imperfections such as atomic spontaneous emission, weak atom-cavity coupling, violatio...

Atomic clusters often show unique, size-dependent properties and have become a fertile ground for the discovery of novel molecular structures and chemical bonding. Here we report an investigation of the B19 2 cluster, which shows chemical bonding reminiscent of that in [10]annulene (C10H10) and [6]circulene (C24H12). Photoelectron spectroscopy reveals a relatively simple spectrum for B19 , with...

The present study outlines an important area in the application of computer modelling to interface phenomena. Being relevant to the fundamental physical problem of competing atomic interactions in systems with reduced dimensionality, these phenomena attract special academic attention. On the other hand, from a technological point of view, detailed knowledge of the fine atomic structure of surfa...

Structure, shape and composition are the basic parameters responsible for properties of nanoscale materials, distinguishing them from their bulk counterparts. To reveal these in three dimensions at the nanoscale, electron tomography is a powerful tool. Advancing electron tomography to atomic resolution in an aberration-corrected transmission electron microscope remains challenging and has been ...

Magic-sized clusters, as the intermediate state between molecules and nanoparticles, exhibit critical transitions of structures and material properties. We report two unique structures of gold clusters solved by x-ray crystallography, including Au40 and Au52 protected by thiolates. The Au40 and Au52 clusters exhibit a high level of complexity, with the gold atoms in the cluster first segregated...