Extension of the method of partial retention of diatomic differential overlap to second row atoms and transition metals
The method of partial retention of diatomic differential overlap (PRDDO) has been extended to the elements through the first transition series. A minimum basis set of Slatertype orbitals is employed, with optional 3d functions on atoms in the second major row. The 3d shell for transition metal atoms...
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| Udgivet i: | Proc Natl Acad Sci U S A |
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| Principais autores: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
1982
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC345965/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16593163/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.79.4.1341 |
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