Spin-restricted and unrestricted post-Hartree-Fock calculations were carried out for clusters of triplet methylene and nitroxide radicals. The UHF-based methods such as UMP and QCISD followed by approximate spin projection provide reasonable energy differences between the high-and low-spin states of
β¦ LIBER β¦
A simulation of the exchange potential in unrestricted and restricted Hartree-Fock calculations studied on atoms
β Scribed by Erich Wimmer
- Publisher
- Springer
- Year
- 1979
- Tongue
- English
- Weight
- 437 KB
- Volume
- 51
- Category
- Article
- ISSN
- 1432-2234
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