Relativistic quantum chemistry

Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals.^[1]

The term relativistic effects was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity.^[2] Relativistic effects are those discrepancies between values calculated by models that consider relativity and those that do not.^[3] Relativistic effects are important for heavier elements with high atomic numbers, such as lanthanides and actinides.^[4]

Relativistic effects in chemistry can be considered to be perturbations, or small corrections, to the non-relativistic theory of chemistry, which is developed from the solutions of the Schrödinger equation. These corrections affect the electrons differently depending on the electron speed compared with the speed of light. Relativistic effects are more prominent in heavy elements because only in these elements do electrons attain sufficient speeds for the elements to have properties that differ from what non-relativistic chemistry predicts.^[5]

^ Pekka Pyykkö (January 2012). "Relativistic Effects in Chemistry: More Common Than You Thought". Annual Review of Physical Chemistry. 63 (1): 45–64. Bibcode:2012ARPC...63...45P. doi:10.1146/annurev-physchem-032511-143755. PMID 22404585.
^ Kleppner, Daniel (1999). "A short history of atomic physics in the twentieth century" (PDF). Reviews of Modern Physics. 71 (2): S78–S84. Bibcode:1999RvMPS..71...78K. doi:10.1103/RevModPhys.71.S78. Archived from the original (PDF) on 2016-03-03. Retrieved 2012-07-17.
^ Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 4. ISBN 978-1-4020-1371-3.
^ Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 2. ISBN 978-1-4020-1371-3.
^ Gupta, V. P. (22 October 2015). Principles and Applications of Quantum Chemistry. Elsevier Science. ISBN 978-0-12-803478-1. Retrieved 2024-01-07.

[1] Pekka Pyykkö (January 2012). "Relativistic Effects in Chemistry: More Common Than You Thought". Annual Review of Physical Chemistry. 63 (1): 45–64. Bibcode:2012ARPC...63...45P. doi:10.1146/annurev-physchem-032511-143755. PMID 22404585.

[Kleppner-2] Kleppner, Daniel (1999). "A short history of atomic physics in the twentieth century" (PDF). Reviews of Modern Physics. 71 (2): S78–S84. Bibcode:1999RvMPS..71...78K. doi:10.1103/RevModPhys.71.S78. Archived from the original (PDF) on 2016-03-03. Retrieved 2012-07-17.

[3] Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 4. ISBN 978-1-4020-1371-3.

[4] Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 2. ISBN 978-1-4020-1371-3.

[5] Gupta, V. P. (22 October 2015). Principles and Applications of Quantum Chemistry. Elsevier Science. ISBN 978-0-12-803478-1. Retrieved 2024-01-07.

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