Compact basis sets for LCAO-LSD calculations. Part I: Method and bases for Sc to Zn
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference35 articles.
1. On some approximations in applications ofXα theory
2. On first-row diatomic molecules and local density models
3. Binding energy and electronic structure of small copper particles
4. LCAO local-spin-density and Xα calculations for Cr2and Mo2
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