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Multiconfigurational Quantum Chemical Methods for Molecular Systems Containing Actinides

✍ Scribed by Laura Gagliardi; Bjoern O. Roos

Book ID
102005256
Publisher
John Wiley and Sons
Year
2007
Weight
11 KB
Volume
38
Category
Article
ISSN
0931-7597

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The study of actinide chemistry with mul
The study of actinide chemistry with multiconfigurational quantum chemical methods
✍ Laura Gagliardi πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 119 KB

## Abstract The major contributions of BjΓΆrn Roos to actinide chemistry, both in terms of quantum chemical method development and applications, will be reviewed. The extension of the complete active space SCF method followed by second order perturbation theory (CASSCF/CASPT2) method to a relativist