Accuracy of geometries: influence of basis set, exchange–correlation potential, inclusion of core electrons, and relativistic corrections.
| Autor: | Swart, M.1,2 swart@chem.vu.nl, Snijders, J. G.1 |
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| Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Aug2003, Vol. 110 Issue 1, p34-41. 8p. |
| Databáze: | Academic Search Ultimate |
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