Relativistic Quantum Chemistry

Einstein proposed his theory of special relativity in 1905. For a long time, it was believed that this theory had no significant impact on chemistry. This view changed in the 1970s when it was recognized that non-relativistic Schrödinger quantum mechanics yields results for molecular properties that deviate significantly from experimental results. Particularly when heavy elements are involved, these quantitative deviations can be so large that they affect qualitative chemical thinking and understanding. To address this, suitable many-electron theories have rapidly evolved. Nowadays, relativistic approaches are routinely implemented and applied in common quantum chemistry software packages. As it is crucial for chemists and physicists to understand relativistic effects in molecules, the first edition of "Relativistic Quantum Chemistry - The Fundamental Theory of Molecular Science" was published.