Some notes on K-electron energies in mol
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F.A. Gianturco; C. Guidotti
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Article
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1971
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Elsevier Science
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English
β 499 KB
Severai SCF LCAO MO .~~vef~nctions empioyi~g different ST0 basis sets h3ve been used to catculate tie K-she11 electron binding energies, both in the 'sudden' and Miabatic approximations, in moIecules with first-row atoms. The ~a changes induced by :.he various bases are computed aad found comparabIe