Abstract
The majority of contemporary ab initio calculations have been performed on light atoms and molecules containing them, with which a large part of chemical research is concerned. However, important physical and chemical processes involve heavy atoms, where relativistic effects cannot be ignored. Because relativistic and correlation effects play an essential role in the electronic structure of heavy-atom systems, relativistic many-body theories have become the subject of active research interest in recent years.1 Since relativistic effects can be large and may not always be treated as a small perturbation, it is often necessary to forfeit the Schrödinger equation in favor of the Dirac equation in order to describe the electronic structure of heavy-atom systems.
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Kaldor, U. (1995). Relativistic Coupled Cluster Calculations. In: Schachinger, E., Mitter, H., Sormann, H. (eds) Recent Progress in Many-Body Theories. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-1937-9_13
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DOI: https://doi.org/10.1007/978-1-4615-1937-9_13
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