The electronic structure of X3, X = O, S
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Harold Basch
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Article
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1989
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Elsevier Science
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English
β 527 KB
The electronic and geometrical structural properties of the group VIA trimers, Os, S,, Se3 and Tel in their ground and lowestenergy anion states have been calculated using an ab initio complete active space (CAS) MCSCF method with a double-zeta+polarization Gaussian basis set. Compact effective pote