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  1. No Access

    Article

    Long-Range van der Waals Interactions in Density Functional Theory

    The early difficulties in accounting for long-range van der Waals interactions in the framework of density functional theory (DFT) have been overcome to a certain extent in recent works by several groups, and ...

    J. A. Alonso, A. Mañanes in Theoretical Chemistry Accounts (2007)

  2. No Access

    Article

    Fission barriers for Na N 2+ cluster dissociation

    The competition experimentally observed between asymmetric fission and neutral monomer evaporation as dissociation channels of excited doubly charged sodium clusters has been investigated by means of an axiall...

    F. Garcias, J. A. Alonso, M. Barranco… in Zeitschrift für Physik D Atoms, Molecules … (1994)

  3. No Access

    Article

    Atomic and electronic structure of Na10K10Cs n clusters

    Density functional theory is used to study the atomic and electronic structures of Na10K10Cs n clusters with up to sixty atoms. The simplifying approximation has been made of re...

    A. Bol, J. A. Alonso, J. M. López… in Zeitschrift für Physik D Atoms, Molecules … (1994)

  4. No Access

    Article

    Semiclassical variational study of size effects in neutral and charged jellium droplets

    An analytic expression for the total energy of metallic clusters composed ofN identical atoms of valencev and with net chargeQ is obtained by means of a variational solution of the Thomas-Fermi-Weizsäcker energy ...

    A. Mañanes, M. Membrado, J. Sañudo… in Zeitschrift für Physik D Atoms, Molecules … (1991)

  5. No Access

    Article

    Evaporation rates of hot sodium clusters

    A scheme based in density functional theory with pseudopotentials is used to obtain the normal modes of vibration of Na n clusters (4 ≤n ≤ 22). The monomer and dimer evaporation...

    A. Mañanes, M. P. Iñiguez, J. A. Alonso… in Zeitschrift für Physik D Atoms, Molecules … (1991)

  6. No Access

    Article

    Electronic and atomic structure of Cs N and Cs N O clusters

    The electronic and atomic structure of Cs N and Cs N O clusters up toN=70 is studied using both the spherical jellium model and a spherical ave...

    U. Lammers, G. Borstel, A. Mañanes… in Zeitschrift für Physik D Atoms, Molecules … (1990)

  7. No Access

    Article

    Immersion of hydrogen atoms in aluminium clusters

    The immersion of a H atom at the centre of Al N clusters with 8≦N≦21 has been studied using the density functional formalism and a pseudopotential averaged about the cluster cen...

    J. Robles, M. P. Iñiguez, J. A. Alonso… in Zeitschrift für Physik D Atoms, Molecules … (1989)

  8. No Access

    Article

    Enrichment and segregation in alkali heteroclusters

    A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Na

    M. J. López, A. Mañanes, J. A. Alonso… in Zeitschrift für Physik D Atoms, Molecules … (1989)

  9. No Access

    Chapter and Conference Paper

    Enrichment and segregation in alkali heteroclusters

    A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Nan cluster has on th...

    M. J. López, A. Mañanes, J. A. Alonso… in Small Particles and Inorganic Clusters (1989)