caa a22 4500 44586771X CHVBK 20180317145503.0 cr unu---uuuuu 170323e20110101xx s 000 0 eng 10.1140/epjd/e2010-10195-x doi (NATIONALLICENCE)springer-10.1140/epjd/e2010-10195-x Collisions between a single gold atom and 13 atom gold clusters: an abinitio approach [Elektronische Daten] [F. Muñoz, J. Rogan, G. García, M. Ramírez, J. A. Valdivia, R. Ramírez, M. Kiwi] Abstract.: Collision processes between a single gold atom and a gold cluster are investigated by means of abinitio techniques. The targets we consider are minimum energy 13 gold atom clusters. The kinetic energy of the projectile and its impact parameter are chosen within a range such that the three regimes we are mainly interested in studying (fusion, scattering and fragmentation) are realized. The results of the collision processes are treated using density functional theory molecular dynamics (DFT-MD), analyzed in detail, and compared with previous work, which was carried out using phenomenological potentials and classical molecular dynamics. The differences between classical MD and DFT-MD are quite significant. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2010 Muñoz F. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut Rogan J. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut García G. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut Ramírez M. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut Valdivia J. A. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut Ramírez R. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut Kiwi M. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut The European Physical Journal D Springer-Verlag 61/1(2011-01-01), 87-93 1434-6060 61:1<87 2011 61 10053 https://doi.org/10.1140/epjd/e2010-10195-x text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2010-10195-x text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Muñoz F. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut NATIONALLICENCE 700 1- Rogan J. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut NATIONALLICENCE 700 1- García G. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut NATIONALLICENCE 700 1- Ramírez M. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut NATIONALLICENCE 700 1- Valdivia J. A. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut NATIONALLICENCE 700 1- Ramírez R. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut NATIONALLICENCE 700 1- Kiwi M. Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, 7820436, Santiago, Chile aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 61/1(2011-01-01), 87-93 1434-6060 61:1<87 2011 61 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer