The low-lying electronic states of PtH were studied by all-electron oneand two-component variational calculations on the multireference CI levels. The orbital optimization is performed within a one-component formalism, whereas the further refinement of the wave functions follows two different scheme
Spin correlation and saturation effects in titanium hydride
โ Scribed by C Korn
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 336 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0022-2364
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