Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH[sub 2]
β Scribed by Koput, Jacek; Peterson, Kirk A.
- Book ID
- 115490428
- Publisher
- American Institute of Physics
- Year
- 2006
- Tongue
- English
- Weight
- 336 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0021-9606
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## Abstract A threeβdimensional potential energy surface of the electronic ground state of ZnH~2~ (${X}^1\sum \_g^ +$) molecule is constructed from more than 7500 __ab initio__ points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMR
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