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Optimization of RI‐MP2 Auxiliary Basis Functions for 6‐31G** and 6‐311G** Basis Sets for First‐, Second‐, and Third‐Row Elements |
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| Authors: | Masato Tanaka Michio Katouda Shigeru Nagase |
| Institution: | 1. Department of Earth and Planetary Systems Science, Graduate School of Science, Hiroshima University, , Higashi‐Hiroshima, 739‐8526 Japan;2. Computational Molecular Science Research Team, RIKEN Advanced Institute for Computational Science, , Kobe, 650‐0047 Japan;3. Fukui Institute for Fundamental Chemistry, Kyoto University, , Kyoto, 606‐8103 Japan |
| Abstract: | |
| Keywords: | RI‐MP2 auxiliary basis set Pople‐type basis set 6‐31G** 6‐311G** |