The ability of ab initio quantum-chemical methods to produce very accurate potential energy curves for van der Waals molecules is demonstrated through the calculation of the helium dimer interaction energy for a variety of internuclear distances around the van der Waals minimum (R= 5.6 bohr). At the
The role of accurate ab initio calculations in the determination of the repulsive wall of the HeHe potential
✍ Scribed by Peter G. Burton
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 262 KB
- Volume
- 87
- Category
- Article
- ISSN
- 0009-2614
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