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 °
✦ LIBER ✦
An ab initio potential energy surface for the study of COH2 collision at thermal energies
✍ Scribed by D.R. Flower; J.M. Launay; E. Kochanski; J. Prissette
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 588 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0301-0104
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