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Near Hartree-Fock limit study of the linear chain of hydrogen atoms

✍ Scribed by A. Karpfen

Publisher: Elsevier Science
Year: 1979
Tongue: English
Weight: 365 KB
Volume: 61
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(79)80663-6

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✦ Synopsis

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 of -0.5361 and -0.5372 hartree. respectively, for the total

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