Near Hartree-Fock limit study of the lin
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A. Karpfen
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Article
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1979
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Elsevier Science
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English
⚖ 365 KB
The linear, equidistant chain of hydrogzn atoms has been studied wivith the aid of the crystal orbital method. Extended sussian basis sets have been used, with the aim to obtain near Hartree-rock limit ground state properties. The metallic type and tke broken symmetry type solution yielded energies