Is relativistic quantum chemistry a good theory of everything?
Abstract The literature on relativistic quantum chemistry is briefly reviewed. The meaning of the main physical terms is qualitatively discussed. The ionization potential and electron affinity of a gold atom are discussed as existing examples on high-accuracy calculations. Very accurate calculations exist for 2-electron atoms. The hyperfine structure in the HD and D 2 molecules was used by Pachucki et al., to obtain an improved deuteron quadrupole moment, Q . The remaining, so far excluded, physical contributions are briefly listed. A short answer to the title question is: ‘Probably yes’. Finally, a comment is made on the possible connection, or lack of one, between parity non-conservation and the handedness of life.
Authors
- Pekka Pyykkö (ORCID: https://orcid.org/0000-0003-1395-8712)
Institutions
- University of Helsinki (FI)
Publication Details
- Journal
- Pure and Applied Chemistry
- Published
- 2025-06-19
- DOI
- https://doi.org/10.1515/pac-2025-0460
- Primary Topic
- History and advancements in chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00