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Valence-only model potential calculations on copper hydride molecule

✍ Scribed by Piercarlo Fantucci; Stefano Polezzo; Gabriele Morosi; Venanzio Valenti


Book ID
104804610
Publisher
Springer
Year
1985
Tongue
English
Weight
448 KB
Volume
67
Category
Article
ISSN
1432-2234

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Ab initio valence-electron-only calculat
✍ S.C. Leasure; T.P. Martin; G.G. Balint-Kurti 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 561 KB

## X new method for perfonntig valence-electron calculations is applied for the fii time to n molecular s)-stem. The method contains no adjustable parameters and in the limit of a larse basis set converges on the all-electron frozencore results.