Relativistic Propagators: Theory and Applications

G. A. AUCAR; A. F. MALDONADO

Comprehensive Computational Chemistry

Elsevier

Año: 2023; p. 1 - 24

The understanding of the physical and chemical properties of heavy-atomcontaining molecules requires the application of the relativistic quantum theory. In these cases it becomes necessary to introduce relativistic effects on the theoretical models to reproduce experimental measurements, and also, to explain the appearance of new effects that does not exist within the non-relativistic framework. Relativistic propagators are one of the few theories that have shown to be appropriate for getting both, very accurate results and new understandings of the physics behind. In this chapter the basic theory together with applications and some new physical insights are given.