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On computation of second derivatives from gravity data

✍ Scribed by M. K. Paul


Publisher
Springer
Year
1961
Tongue
English
Weight
296 KB
Volume
48
Category
Article
ISSN
0033-4533

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Parallel computation of second derivativ
✍ MοΏ½rquez, Antonio M.; Oviedo, Jaime; Sanz, Javier FernοΏ½ndez; Dupuis, Michel πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 302 KB πŸ‘ 3 views

A parallel implementation of the computation of RHF energy second derivatives with respect to the nuclear coordinates is described. The algorithm and organization of the code are described in detail on the most computationally demanding steps with special emphasis on the integral transformation code