Dynamics in a cluster under the influence of intense femtosecond hard x-ray pulsesIn this paper we examine the behavior of small cluster of atoms in a short (10-50 fs) very intense hard x-ray (10 keV) pulse. We use numerical modeling based on the non-relativistic classical…Zoltan Jurek, Gyula Faigel, Miklos Tegze·Jun 13, 2003SaveLearn
Variational RPA for the Mie resonance in jelliumThe surface plasmon in simple metal clusters is red-shifted from the Mie frequency, the energy shift being significantly larger than the usual spill-out correction. Here we develop a variational…G. F. Bertsch, C. Guet, K. Hagino·Jun 6, 2003SaveLearn
Structure and energetics of Ni clusters with up to 150 atomsWe present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the…V. G. Grigoryan, M. Springborg·Jun 3, 2003SaveLearn
Ab initio density functional investigation of B24 cluster: Rings, Tubes, Planes, and CagesWe investigate the equilibrium geometries and the systematics of bonding in various isomers of a 24-atom boron cluster using Born-Oppenheimer molecular dynamics within the framework of density…S. Chacko, D. G. Kanhere, I. Boustani·May 22, 2003SaveLearn
The 3He4He2$ trimer within the hard-core Faddeev approachWe apply a hard-core version of the Faddeev differential equations to the 3He4He2 three-atomic system. Employing the TTY interatomic potential by Tang, Toennies and Yiu we calculate the binding…E. A. Kolganova, Y. K. Ho, A. K. Motovilov et al.·Apr 11, 2003SaveLearn
Optimal representations of quantum states by gaussians in phase spaceA two-step optimization is proposed to represent an arbitrary quantum state to a desired accuracy with the least number of gaussians in phase space. The Husimi distribution of the quantum state…Anatole Kenfack, Jan M Rost, Alfredo M Ozorio de Almeida·Apr 8, 2003SaveLearn
Linking Vibrational Dynamics to Local Electronic Structure: Local Analysis of Dynamics of the relaxed Si87 ClusterA flexible scheme for decomposing the vibrational density of states in terms of pair vibrational density of states is presented. This scheme provides the linkage between the site vibrational density…Lei Liu, C. S. Jayanthi, Shi-Yu Wu·Mar 20, 2003SaveLearn
Explosions of water clusters in intense laser fieldsEnergetic, highly-charged oxygen ions, Oq+ (q≤ 6), are copiously produced upon laser field-induced disassembly of highly-charged water clusters, (H2O)n and (D2O)n, n 60, that…V. Kumarappan, M. Krishnamurthy, D. Mathur·Mar 20, 2003SaveLearn
Anisotropic "charge-flipping" acceleration of highly charged ions from (N2)n clusters in strong optical fieldsThe disassembly of molecular clusters (N2)n (n=50-3000) in strong optical fields is investigated using two-dimensional time-of-flight spectrometry. Very highly charged ions are formed with a…M. Krishnamurthy, D. Mathur, V. Kumarappan·Mar 20, 2003SaveLearn
Coulombic Energy Transfer and Triple Ionization in ClustersUsing neon and its dimer as a specific example, it is shown that excited Auger decay channels that are electronically stable in the isolated monomer can relax in a cluster by electron emission. The…Robin Santra, Lorenz S. Cederbaum·Mar 18, 2003SaveLearn
Scaling predictions for radii of weakly bound triatomic moleculesThe mean-square radii of the molecules 4He3, 4He2-6Li, 4He2-7Li and 4He2-23Na are calculated using a three-body model with contact interactions. They are obtained from a…M. T. Yamashita, R. S. Marques de Carvalho, Lauro Tomio et al.·Mar 8, 2003SaveLearn
Binding energy of the 3He4He2 trimer within the hard-core Faddeev approachWe apply a hard-core version of the Faddeev differential equations to the 3He4He2 three-atomic system. Using these equations we calculate the binding energy of the 3He4He2 trimer with the LM2M2…E. A. Kolganova, Y. K. Ho, A. K. Motovilov·Mar 7, 2003SaveLearn
Negative heat capacity of sodium clustersHeat capacities of NaN, N = 13, 20, 55, 135, 142, and 147, clusters have been investigated using a many-body Gupta potential and microcanonical molecular dynamics simulations. Negative heat…Juan A. Reyes-Nava, Ignacio L. Garzon, Karo Michaelian·Feb 21, 2003SaveLearn
Study of interaction of high-power Ar+ laser beam with Ag+-doped glassIn this work, we have investigated the interaction of a high-power Ar+ laser beam, in a continuous multi-line regime, with Ag+-doped glass samples. The samples were subjected to the irradiation…A. Nahal, H. R. M. Khalesifard, M. Payami·Feb 21, 2003SaveLearn
Temperature-induced pair correlations in clusters and nucleiThe pair correlations in mesoscopic systems such as nm-size superconducting clusters and nuclei are studied at finite temperature for the canonical ensemble of fermions in model spaces with a fixed…S. Frauendorf, N. K. Kuzmenko, V. M. Mikhajlov et al.·Jan 16, 2003SaveLearn
Orbital magnetism in axially deformed sodium clusters: From scissors mode to dia-para magnetic anisotropyLow-energy orbital magnetic dipole excitations, known as scissors mode (SM), are studied in alkali metal clusters. Subsequent dynamic and static effects are explored. The treatment is based on a…V. O. Nesterenko, W. Kleinig, P. -G. Reinhard et al.·Dec 20, 2002SaveLearn
Evolution of electronic and ionic structure of Mg-clusters with the growth cluster sizeThe optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and…Andrey Lyalin, Ilia A Solov'yov, Andrey V Solov'yov et al.·Nov 6, 2002SaveLearn
Asymmetric emission of high energy electrons in the two-dimensional hydrodynamic expansion of large xenon clusters irradiated by intense laser fieldsEnergy spectra and angular distributions have been measured of electrons that are emitted upon disassembly of Xe150000 following irradiation by intense (1015-1016 W cm-2) laser…V. Kumarappan, M. Krishnamurthy, D. Mathur·Oct 9, 2002SaveLearn
Optimization of molecular clusters configurations using a Genetic AlgorithmWe present a genetic algorithm developed (GA) to optimize molecular AF6 cluster configurations with respect to their energy. The method is based on the Darvin's evolutionary theory: structures…Stoyan Pisov, A. Proykova·Sep 13, 2002SaveLearn
Work functions, ionization potentials, and in-between: Scaling relations based on the image charge modelWe revisit a model in which the ionization energy of a metal particle is associated with the work done by the image charge force in moving the electron from infinity to a small cut-off distance just…Kin Wong, Sascha Vongehr, Vitaly V. Kresin·Jul 30, 2002SaveLearn
Wetting to Non-wetting Transition in Sodium-Coated C60Based on ab initi and density-functional theory calculations, an empirical potential is proposed to model the interaction between a fullerene molecule and many sodium atoms. This model predicts…J. Roques, F. Calvo, F. Spiegelman et al.·Jul 30, 2002SaveLearn
On the applicability of jellium model to the description of alkali clustersThis work is devoted to the elucidation the applicability of jellium model to the description of alkali cluster properties on the basis of comparison the jellium model results with those derived from…Anton Matveentsev, Andrey Lyalin, Ilia A Solov'yov et al.·Jul 22, 2002SaveLearn
Cluster growing process and a sequence of magic numbersWe present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy…A. Koshelev, A. Shutovich, Il. A. Solov'yov et al.·Jul 22, 2002SaveLearn
Revisiting the Complexity of Finding Globally Minimum Energy Configurations in Atomic ClustersIt has previously been proven that finding the globally minimum energy configuration of an atomic cluster belongs in the class of NP-hard problems. However, this proof is limited only to homonuclear…G. W. Greenwood·Jul 20, 2002SaveLearn
Melting of sodium clustersThermal stability properties and the melting-like transition of Nan, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters…Juan A. Reyes-Nava, Ignacio L. Garzon, Marcela R. Beltran et al.·Jul 17, 2002SaveLearn