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Application of the Hellmann-Feynman theorem to the study of substitutional impurities in a linear chain of atoms

✍ Scribed by P. Villaseñor-González; Jesús Urías; J.L. Morán-López


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
155 KB
Volume
42
Category
Article
ISSN
0038-1098

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Near Hartree-Fock limit study of the lin
✍ A. Karpfen 📂 Article 📅 1979 🏛 Elsevier Science 🌐 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