Published March 1989 | Version v1
Journal article

Stability and structure of singly-charged argon clusters Arn+, n = 3-27. A Monte Carlo simulation

  • 1. Bonn Univ. (Germany, F.R.). Lehrstuhl fuer Theoretische Chemie

Description

Monte-Carlo calculations have been performed for positively charged argon clusters in the temperature range between 10K nd 40K using two different models (one with a dimer ion core, the other one with a trimer ion). The argon-argon interaction potential stems from empirical data, the ion-neutral atoms potential is determined by ab initio MRD-CI calculations. Special stability is found for clusters sizes n = 13, 19, 23 and 25/26 atoms using the 'trimeric core model' and for those with n = 14, n = 17, n = 20 using the 'dimetric core model'. The geometrical structure of the clusters is given and the construction principles are discussed in light of the interactions among neutral argon atoms and the ion-neutral atoms interaction. (orig.)

Additional details

Publishing Information

Journal Title
Zeitschrift fuer Physik, D
Journal Volume
11
Journal Issue
3
Series
Z. Phys., D.
Journal Page Range
239-248
ISSN
0178-7683
CODEN
ZDACE

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
20047057
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ARGON; CONFIGURATION INTERACTION; IONS; MONTE CARLO METHOD; SOLID CLUSTERS; STABILITY
Descriptors DEC
CHARGED PARTICLES; ELEMENTS; NONMETALS; RARE GASES