Complete active space MC SCF and restricted first-order CI calculations of low-lying states of Si, ('A,, 3Br, 'Br, 3B,, 'Bi, 3A2, 'A,) and potential energy surfaces of the 'A, and 3Br states are calculated. MRSDCI calculations are carried out for the 'A, and 'A\ (D3k) states. The ground state of Si,
โฆ LIBER โฆ
Potential energy surfaces of cyclobutadiene: ab initio SCF and CI calculations for the low-lying singlet and triplet states
โ Scribed by Jafri, J. A.; Newton, M. D.
- Book ID
- 126770389
- Publisher
- American Chemical Society
- Year
- 1978
- Tongue
- English
- Weight
- 834 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0002-7863
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