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 approximate potential energy surface for HeI2 collisions
✍ Scribed by David W. Schwenke; Donald G. Truhlar
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 364 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0009-2614
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