Now showing items 1-10 of 769
Big bang methodology applied to atomic clusters
An implementation of a novel strategy for cluster geometry optimization, using a stochastic method, is applied. This algorithm is based on the spirit of Big Bang theory. The strategy consists on a three-step procedure; a ...
THE INTERACTION OF ATOMIC OXYGEN WITH SMALL COPPER CLUSTERS: A THEORETICAL APPROACH
(Sociedad Chilena de Química, 2005)
Modified genetic algorithms to model cluster structures in medium-size silicon clusters
(American Physical Society, 2004)
Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using ...
MODIFIED GENETIC ALGORITHMS TO MODEL ATOMIC CLUSTER STRUCTURES: CUSI CLUSTERS
(ELSEVIER SCIENCE PUBLISHERS B.V., 2004)
Stopping of hypervelocity clusters in solids
(Iop Publishing, 2011-11)
Using molecular-dynamics simulations, we study the processes underlying the stopping of energetic clusters upon impact in matter. We investigate self-bombardment of both a metallic (Cu) and a van-der-Waals bonded (frozen ...
THEORETICAL CALCULATIONS OF THE STATIC DIPOLE POLARIZABILITY OF ATOMS AND SMALL ATOMIC CLUSTERS
(IMPERIAL COLLEGE PRESS, 2006)
The calculations of the static sipole polarizability of atomic clusters will be discussed. The theoretical metodologies to do the calculations will be briefly analyzed. First, the most important aspects of the calculations ...
Modified genetic algorithms to model cluster structures in medium-sized silicon clusters: Si18 - Si60
This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of medium-size silicon clusters. This is the third report in which a GA coupled with the MSINDO semiempirical molecular ...
Response of metal clusters to elastic electron impact
We perform a theoretical study of the response of neutral and ionized metal clusters to the elastic impact of slow electrons. We center our attention on Na40 and Na41+ closed-shell clusters. A phase-shift analysis is ...
Electronic properties of small bimetallic LinCum (n, m ≤ 4) clusters. A comparison with Lin and Cun clusters
The electronic structure and geometry of clusters of the type Li nCum, LinCum+1 (n, m ≤ 4), Lin, and Cun (n ≤ 8) were theoretically investigated using density functional methods. The LinCum bimetallic system is important ...
Modified genetic algorithms to model atomic cluster structures: CuSi clusters
This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of Cu-silicon clusters. In this work the GA uses a semiempirical energy function to find the best cluster structures, ...