A variational procedure is suggested for determining optimal gauge parameters (such as gauge origin etc.) in calculations of molecular magnetic properties with a finite basis set. ## Magnetic properties of molecules (components of magnetic susceptibility tensor, nuclear magnetic shielding and rel
Correlated and gauge origin independent calculations of magnetic properties
✍ Scribed by Stephan P. A. Sauer; Ivana Paidarová; Jens Oddershede
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 651 KB
- Volume
- 88
- Category
- Article
- ISSN
- 1432-2234
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