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Band structure calculations for magnetic and superconducting systems

✍ Scribed by J. Kübler


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
380 KB
Volume
159
Category
Article
ISSN
0921-4526

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Fourier space for accurate ab initio RHF
✍ I. Flamant; J. G. Fripiat; J. Delhalle 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 690 KB

Minimal basis-set (STO-3G) direct and Fourier space restricted Hartree-Fock (RHF) calculations on the infinite regular (metallic) and alternating chains of lithium molecules, (-Li2-)x, are reported to illustrate two advantages of the Fourier representation method: accurate calculation of all lattice