CAS SCF/CI calculations of low-lying sta
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K. Balasubramanian
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Article
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1986
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Elsevier Science
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English
โ 406 KB
Complete active space MC SCF (CAS SCF) followed by full second-order CI calculations are carried out on the three lowest-lying states of SnH, ('A,, 3B,, 'B,). Relativistic effective core potentials are employed for the tin atom with the outer d"s2p2 shell as the valence shell. The ground state is fo