Abnormally large changes in anharmonicity of intramolecular vibrations in free clusters of nitrogenCathodoluminescence VUV spectra of free pure nitrogen clusters produced by condensation of gas mixtures in supersonic jets expanding into vacuum were studied. The clusters were of icosahedral…O. Danylchenko, Yu. Doronin, S. Kovalenko et al.·Nov 10, 2008SaveLearn
Cold Reactions of Alkali and Water Clusters inside Helium NanodropletsThe reaction of alkali (Na, Cs) clusters with water clusters embedded in helium nanodroplets is studied using femtosecond photo-ionization as well as electron impact ionization. Unlike Na clusters,…S. Mueller, S. Krapf, Th. Koslowski et al.·Oct 28, 2008SaveLearn
Ionization and expansion dynamics of atomic clusters irradiated with short intense VUV pulsesKinetic Boltzmann equations are used to model the ionization and expansion dynamics of xenon clusters irradiated with short intense VUV pulses. This unified model includes predominant interactions…B. Ziaja, H. Wabnitz, F. Wang et al.·Oct 21, 2008SaveLearn
Electronic shell and supershell structure in graphene flakesWe use a simple tight-binding (TB) model to study electronic properties of free graphene flakes. Valence electrons of triangular graphene flakes show a shell and supershell structure which follows an…M. Manninen, H. P. Heiskanen, J. Akola·Oct 14, 2008SaveLearn
Exact condition on the Kohn-Sham kinetic energy, and modern parametrization of the Thomas-Fermi densityWe study the asymptotic expansion of the neutral-atom energy as the atomic number Z goes to infinity, presenting a new method to extract the coefficients from oscillating numerical data. We find that…Donghyung Lee, Kieron Burke, Lucian A. Constantin et al.·Oct 11, 2008SaveLearn
Phase coherent control in electron-argon scattering in a bichromatic laser fieldWe study the elastic scattering of atomic argon by a electron in the presence of a bichromatic laser field. The numerical calculation is done in the first Born approximation (FBA) for a simple…Bin Zhou, Shu-Min Li·Oct 8, 2008SaveLearn
A theory of intense-field dynamic alignment and high harmonic generation from coherently rotating molecules and interpretation of intense-field ultrafast pump-probe experimentsA theory of ultra-fast pump-probe experiments proposed by us earlier [F.H.M. Faisal et al., Phys. Rev. Lett. 98, 143001 (2007) and F.H.M. Faisal and A. Abdurrouf, Phys. Rev. Lett. 100, 123005 (2008)]…A. Abdurrouf, F. H. M. Faisal·Sep 26, 2008SaveLearn
Photoionization of a strongly polarizable targetWe demonstrate that the angular distribution of photoelectrons from a strongly polarizable target exposed to a laser field can deviate noticeably from the prediction of conventional theory. Even…A. V. Korol, A. V. Solov'yov·Sep 18, 2008SaveLearn
Laser-Cluster-Interaction in a Nanoplasma-Model with Inclusion of Lowered Ionization EnergiesThe interaction of intense laser fields with silver and argon clusters is investigated theoretically using a modified nanoplasma model. Single pulse and double pulse excitations are considered. The…Paul Hilse, Max Moll, Manfred Schlanges et al.·Sep 18, 2008SaveLearn
Resonance phenomena in ultracold dipole-dipole scatteringElastic scattering resonances occurring in ultracold collisions of either bosonic or fermionic polar molecules are investigated. The Born-Oppenheimer adiabatic representation of the two-bodydynamics…V. Roudnev, M. Cavagnero·Sep 15, 2008SaveLearn
Interference of the evolutions of Rb and Na Bose-Einstein condensatesSpin evolution of a mixture of two species of spin-1 Bose-Einstein condensates (Rb and Na) has been investigated beyond the mean field theory. Both analytical expression and numerical results on the…Ma Luo, Chengguang Bao, Zhibing Li·Aug 29, 2008SaveLearn
Impurity effects on the melting of Ni clustersWe demonstrate that the addition of a single carbon impurity leads to significant changes in the thermodynamic properties of Ni clusters consisting of more than a hundred atoms. The magnitude of the…Andrey Lyalin, Adilah Hussien, Andrey V. Solov'yov et al.·Aug 8, 2008SaveLearn
Magnetic molecules created by hydrogenation of Polycyclic Aromatic HydrocarbonsPresent routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach…J. A. Verges, G. Chiappe, E. Louis et al.·Jul 30, 2008SaveLearn
Phase transitions in fullerenes: Fragmentation and reassembly of the carbon cagePhase transition in fullerenes C60 and C240 are investigated by means of constant-temperature molecular dynamics simulations. In the phase transition region, the assembly (and fragmentation) of the…Adilah Hussien, Alexander Yakubovich, Andrey Solov'yov et al.·Jul 28, 2008SaveLearn
Operation of a Stark decelerator with optimum acceptanceWith a Stark decelerator, beams of neutral polar molecules can be accelerated, guided at a constant velocity, or decelerated. The effectiveness of this process is determined by the 6D volume in phase…Ludwig Scharfenberg, Henrik Haak, Gerard Meijer et al.·Jul 25, 2008SaveLearn
Mastering size and shape of CoPt nanoparticles by flash laser annealingA major step towards the understanding of intrinsic properties of nano-objects depends on the ability to obtain assemblies of nanoparticles of a given size with reduced size dispersion and a well…D. Alloyeau, C. Ricolleau, C. Langlois et al.·Jul 25, 2008SaveLearn
Useful vacancies in Single Wall Carbon NanotubesThe electronic and structural properties of zigzag and armchair single-wall carbon nanotubes (SWCNT) with a single vacancy or two vacancies located at various distances have been obtained within the…A. Proykova, H. Iliev, Feng Yin Li·Jul 12, 2008SaveLearn
Analytical Approach to the Local Contact Potential Difference on (001) Ionic Surfaces: Implications for Kelvin Probe Force MicroscopyAn analytical model of the electrostatic force between the tip of a non-contact Atomic Force Microscope (nc-AFM) and the (001) surface of an ionic crystal is reported. The model is able to account…Franck Bocquet, Laurent Nony, Christian Loppacher et al.·Jul 9, 2008SaveLearn
Electron Clusters in Inert GasesThe paper addresses counterintuitive behavior of electrons injected into dense cryogenic media with negative scattering length a0. Instead of expected polaronic effect (formation of density…S. Nazin, V. Shikin·Jul 8, 2008SaveLearn
The effect of tamper layer on the explosion dynamics of atom clustersThe behavior of small samples in very short and intense hard x-ray pulses is studied by molecular dynamics type calculations. The main emphasis is put on the effect of various tamper layers about the…Zoltan Jurek, Gyula Faigel·Jul 1, 2008SaveLearn
First principles study of structural stability and electronic structure of CdS nanoclustersUsing first-principles density functional calculations, we have studied the structural stability of stoichiometric as well as non-stoichiometric CdS nanoclusters at ambient pressure with diameters…Soumendu Datta, Mukul Kabir, Tanusri Saha-Dasgupta et al.·Jun 21, 2008SaveLearn
Ab initio studies of structures and properties of small potassium clustersWe have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed…Arup Banerjee, Tapan K. Ghanty, Aparna Chakrabarti·Jun 13, 2008SaveLearn
Magnetism in small bimetallic Mn-Co clustersEffects of alloying on the electronic and magnetic properties of MnxCoy (x+y=n=2-5; x=0-n) and Mn2Co11 nanoalloy clusters are investigated using the density functional…Shreemoyee Ganguly, Mukul Kabir, Soumendu Datta et al.·Jun 11, 2008SaveLearn
Comparative study of Rare Gas-H2 triatomic complexesThis paper presents a comparative analysis of complexes made of one Rare Gas (Rg) atom and molecular hydrogen, for all five stable Rg atoms. In particular, the vibrational band origins have been…Paolo Barletta·May 15, 2008SaveLearn
Zone center phonons of the orthorhombic RMnO3 (R = Pr, Eu, Tb, Dy, Ho) perovskitesA short range force constant model (SRFCM) has been applied for the first time to investigate the phonons in RMnO3 (R = Pr, Eu, Tb, Dy, Ho) perovskites in their orthorhombic phase. The calculations…Hem Chandra Gupta, Upendra Tripathi·May 12, 2008SaveLearn