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.

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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
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article

Is relativistic quantum chemistry a good theory of everything?

Pekka Pyykkö
Pure and Applied Chemistry
History and advancements in chemistry
article

Is relativistic quantum chemistry a good theory of everything?

Pekka Pyykkö
article en

Abstract

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.

Pure and Applied ChemistryVol. 97(9)
University of Helsinki (FI)
Life in Land
Openalex Percentile: Top 86%
History and advancements in chemistry
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