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Studies of Atomic Self-Consistent Fields. Analytic Wave Functions for the Argon-Like Ions and for the First Row of the Transition Metals

✍ Scribed by Löwdin, Per-Olov; Appel, Klaus

Book ID
121218166
Publisher
The American Physical Society
Year
1956
Tongue
English
Weight
878 KB
Volume
103
Category
Article
ISSN
0031-899X

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📜 SIMILAR VOLUMES

Assessment of the OLYP and O3LYP density
Assessment of the OLYP and O3LYP density functionals for first-row transition metals
✍ Jon Baker; Peter Pulay 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 88 KB

## Abstract We have investigated the performance of the OLYP and O3LYP density functionals for predicting atomic excitation energies and ionization potentials, and bond dissociation energies, geometries, and vibrational frequencies for selected first‐row transition metal compounds, including hydrid