Recent electron impact work on Hz0 has shown 3 broad absorption peak near 4.5 eV which has generally been attributed to the lowest triplet ('Eli) state of H-JO. However, the results of SCFnnd multi-configuration SCF (hIC SCF) calculations rcpacted here indicate that the 3BI state is unbound with res
CNDO-MC-SCF calculation of potential curves for lowest states of the HNO2molecule
β Scribed by O. V. Sizova; V. I. Baranovskii; N. V. Ivanova
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1990
- Tongue
- English
- Weight
- 379 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The numeri~l procedure or McCullough is used in calculaGtns or Harrrtzz-Fock nnd hlC SCF waveruntxions for ground spate of N2\_ The la~cr are derived using the complete set of 1s spin and symmc~ry adapted configurnlions in the space or MOs lhnt arise from 7p ntomic orbilals. An incrust in disuxialio
## Lehruuhl firr 77worctische Chcrruc, Gcsurntizoc~~sciru( Wppertal. D-5600 rVuppertaI-Elhcrfef~. tiermany KcLcivctl 24 hlsy 1977 Ab initio SCF dntl CI calculations arc reported for the C3 molcculc using a basis set of doublc-rcta plus polanzation quality. Potcntinl curvc5 arc obt.Grcd for tlrc cy
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