We present an accurate calculation of the intermolecular potential surface for the van der Waals complex He-H20 using complete fourth-order M¢ller-Plesset perturbation theory (MP4) with an efficient basis set containing bond functions. The calculation gives a global minimum at R = 3.15 /~, 0 = 105 °
An accurate ab initio potential energy surface of the He–H2 interaction
✍ Scribed by Tao, Fu-Ming
- Book ID
- 121757489
- Publisher
- American Institute of Physics
- Year
- 1994
- Tongue
- English
- Weight
- 788 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.467214
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