Ab Initio Molecular Orbital Calculations for Magnesium-Containing Systems
Abstract
Ab initio molecular orbital calculations for selected magnesium- containing systems have been performed with extended basis sets to examine the convergence of the electrical dipole moment and the total electronic energy.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1992
- Accession Number
- ADA255811
Entities
People
- D. Steele
- P. J. Gardner
Organizations
- Royal Holloway, University of London