Ab initio valence-electron-only calculat
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S.C. Leasure; T.P. Martin; G.G. Balint-Kurti
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Article
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1983
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Elsevier Science
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English
⚖ 561 KB
## X new method for perfonntig valence-electron calculations is applied for the fii time to n molecular s)-stem. The method contains no adjustable parameters and in the limit of a larse basis set converges on the all-electron frozencore results.