Ab initio calculations on the three lowe
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Joop H. Van Lenthe; Paul J.A. Ruttink
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Article
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1978
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Elsevier Science
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English
β 452 KB
Ab initio calculations were performed for the three lowest lying states of HO:. The ground state was found to be a bend 3A" state. The fust excited 'A' state cannot appropriately be descriied by a single determinant, therefore a MC SCF calculation was employed.