Is relativistic quantum chemistry a good theory of everything?
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Pekka Pyykkö
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 D2 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.
Acknowledgements
Manuel Yañez and Russell Boyd are thanked for the invitation to contribute to this IYQ issue of PAC and for their patience during the evolution of the present manuscript.
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Research ethics: Not applicable.
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Informed consent: Not applicable.
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Author contributions: The author has accepted responsibility for the entire content of this manuscript and approved its submission.
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Use of Large Language Models, AI and Machine Learning Tools: None declared.
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Conflict of interest: The author states no conflict of interest.
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Research funding: None declared.
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Data availability: Not applicable.
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