Completeness condltlons have been appkd III thz theory of molecular magnetrc properttes to determme the best gauge for a given basis set They can smukly be used to optmuse the basis for a fLxed gauge orlgm Test results mdlclte that the gauge dependence of the calculated properties can be slgmfkantly
✦ LIBER ✦
Note on the generation of a new basis set for band structure calculations of infinite stacks
✍ Scribed by F. Bogár; J. Ladik
- Book ID
- 114143997
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 98 KB
- Volume
- 501-502
- Category
- Article
- ISSN
- 0166-1280
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