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A comparison of density functional theory withab initioapproaches for systems involving first transition row metals

โœ Scribed by Allesandra Ricca, Charles W. Bauschlicher Jr


Book ID
120750078
Publisher
Springer
Year
1995
Tongue
English
Weight
571 KB
Volume
92
Category
Article
ISSN
1432-2234

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Comparison of convetional and hybrid den
โœ Vincenzo Barone; Carlo Adamo; Franca Mele ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 468 KB

A parallel study by different conventional and hybrid density functional methods has been performed for the whole series of binary cationic hydrides of first row transition metals. The results show that hybrid methods represent a significant improvement over standard density functionals, reaching an