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,
CAS SCF/CI calculations of potential energy surfaces of He3+ and He2+
β Scribed by K. Balasubramanian; M.Z. Liao; S.H. Lin
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 367 KB
- Volume
- 142
- Category
- Article
- ISSN
- 0009-2614
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