Ab initio potential energy surface and intermolecular vibrational frequency of C 3 -He complex
β Scribed by Zhang, Guiqiu; Zang, Dianfeng; Sun, Chuanzhi; Chen, Dezhan
- Book ID
- 121480874
- Publisher
- Taylor and Francis Group
- Year
- 2009
- Tongue
- English
- Weight
- 441 KB
- Volume
- 107
- Category
- Article
- ISSN
- 0026-8976
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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