The development of correlation consistent basis sets for third row atoms
Conference
·
OSTI ID:560349
- Pacific Northwest National Lab., Richland, WA (United States)
We are extending the correlation consistent basis sets to the third row atoms, Ga-Kr. We shall present the approach used to develop the sets, along with preliminary benchmark results. The influence of the 3d-electrons on the properties of molecules containing third row atoms will be discussed. Finally, we will discuss the differences expected as we move left in the periodic table to the transition metals.
- OSTI ID:
- 560349
- Report Number(s):
- CONF-970443--
- Country of Publication:
- United States
- Language:
- English
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