About this document
Relativistic Quantum Chemistry Basics by angel is a document available to read on EtoBox.
This document provides an overview of relativistic quantum chemistry, which describes electronic structure at a more fundamental level than the Born-Oppenheimer approximation. It discusses the Dirac equation for a single electron and its extension to many electrons. Approximation methods are described that reduce the computationally expensive four-component Dirac equation into more tractable two-component approaches like the zeroth-order regular approximation and the Douglas-Kroll-Hess transformation.
- Author
- angel
- Language
- EN