Multiplet splittings for six excited electronic configurations of the permanganate ion, MnO;, are calculated. Earlier density functional calculations on the same subject are improved upon by the numerical evaluation of some two-electron integrals to resolve certain multideterminantal states. Excelle
β¦ LIBER β¦
A density functional study on the electronic structures of TiN solid
β Scribed by Li Jun-Qian; Zhang Yong-Fan
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 546 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0256-7660
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