Published September 14, 2007 | Version v1
Journal article

S-wave scattering lengths and effective ranges for collisions of ground state Be atoms

  • 1. Department of Computing Science, University of Glasgow, Glasgow G12 8QQ (United Kingdom)
  • 2. Department of Chemistry, University of Hong Kong, Hong Kong (China)
  • 3. Laboratoire des Sciences et Materiaux pour l'Electronique, et d'Automatique, UMR 6602 Universite Blaise Pascal/CNRS, 24 Avenue des Landais, 63177 Aubiere Cedex (France)
  • 4. Laboratoire de Chimie Theorique et Modelisation Moleculaire, Universite de Provence, Marseille (France)
  • 5. Department of Chemistry, Dankook University, Cheonan 330-714 (Korea, Republic of)

Description

The scattering lengths and effective ranges for collisions of ground state Be atoms interacting via the X1Σ+g molecular state of the Be2 dimer are calculated for two published X1Σ+g potentials. A new ab initio X1Σ+g potential is presented with its vibrational energies and rotational constants. The scattering parameters calculated with it and with the existing potentials are compared. Simple formulae showing how the scattering parameters are influenced by adiabatic coupling to electronic motion are derived within the semi-classical formulation and evaluated for the potentials considered. The formulae imply that a semi-classical account of adiabatic coupling can be made by increasing each atomic mass by one electron mass

Additional details

Identifiers

DOI
10.1088/0953-4075/40/17/016;
PII
S0953-4075(07)52496-X;

Publishing Information

Journal Title
Journal of Physics. B, Atomic, Molecular and Optical Physics
Journal Volume
40
Journal Issue
17
Journal Page Range
p. 3497-3504
ISSN
0953-4075
CODEN
JPAPEH