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Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology: Report of a Workshop (1999)
Commission on Physical Sciences, Mathematics, and Applications (CPSMA)

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. "3 Recent Advances in Computational Thermochemistry and Challenges for the Future." Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology: Report of a Workshop. Washington, DC: The National Academies Press, 1999.

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ask how this changes if relativity is included. And very recently we have generalized the theory to the leading term in the relativistic expansion. You can treat relativity as a perturbation on non-relativity by using the inverse of the speed of light as an expansion parameter and just work out the leading term.

The results are not big but they are not insignificant. The biggest relativistic correction that we have found is for silicon tetrafluoride, which is about 3 kcal/mole. So, if you include relativity you would have to reparameterize these small parameters. But those corrections will get bigger without doubt when we get into transition-metal compounds.

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