EVOLUTION OF RELATIVISTIC DENSITY FUNCTIONAL METHODOLOGIES
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Date
1999
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
A retrospective and current view of the use of relativistic electronic structure calculations to address the structure and bonding in molecular systems of the actinide and transactinide elements will be presented. The focus of the discussion will include the evolution of density functional methodologies, from early quasirelativistic $X_{a}$ methods to current fully relativistic density functional methods.
Description
Author Institution: Department of Chemistry, Ohio State University