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Multiconfigurational quantum chemical methods for molecular systems containing actinides

✍ Scribed by Gagliardi, Laura; Roos, Bj?rn O.

Book ID
121497246
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
641 KB
Volume
36
Category
Article
ISSN
0306-0012

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πŸ“œ SIMILAR VOLUMES

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