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Ab initio calculation of the pair potentials of MgB2

✍ Scribed by J. Tanaka


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
532 KB
Volume
463-465
Category
Article
ISSN
0921-4534

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An accurate ab initio calculation of the
✍ J.H. Van Lenthe; R.J. Vos; J.G.C.M. Van Duijneveldt-Van De Rijdt; F.B. Van Duijn πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 360 KB

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