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Periodic Hartree—Fock calculations involving core pseudopotentials

✍ Scribed by B. Silvi; R. Dovesi


Book ID
119116965
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
410 KB
Volume
170
Category
Article
ISSN
0166-1280

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Ab initio periodic pseudopotential Hartr
✍ Alexis Markovits; Christian Minot 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 900 KB

This paper investigates the cleavage of 0, adsorbed on clean Si(100) surfaces with ab initio periodic pseudopotential Hartree-Fock calculations. For the adsorption of the 0, molecular precursors at coverage 0 = 1 (one 0, per dimer), the Si(100) surface remains reconstructed and 0, are adsorbed on th