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Details for article 18 of 21 found articles
| Title: |
Relativistic corrections to carbon atom energy levels and their relation to the singlet-triplet splitting in methylene |
| Author: |
Wood, C. P. Pyper, N. C. |
| Appeared in: |
Molecular physics |
| Paging: | Volume 41 (1980) nr. 1 pages 149-158 |
| Year: |
1980-09 |
| Contents: |
The relativistic correction to the s2p2-sp3 excitation energy in the carbon atom is shown to be 120 cm-1 rather than 500 cm-1 as reported by Desclaux et al. This is too small to explain the 8 kJ mol-1 discrepancy between theory and experiment for the 1A1-3B1 energy separation in methylene. Two pitfalls that can arise when calculating relativistic corrections from approximate wavefunctions are discussed. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 18 of 21 found articles
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