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Basis set library Refereed Papers: current-2006 | 2005-2001 | 2000- | Review Articles and Books |
| Basis set library |
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Accurate relativistic Gaussian basis sets for H through Lr determined by atomic SCF calculations with the third-order Douglas-Kroll approximation. [PDF file] [HTML page of periodic table] |
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An all-electron basis set for group 14 elements: C, Si, Ge Sn, and Pb. The contraction coefficients were reoptimised with a relativistic method (RESC). It is a modified WTBS basis set of roughly cc-pvtz quality and it is given in GAMESS format [Details] |