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Spin-orbit interaction in Hartree-Fock calculations

✍ Scribed by A. R. Bautista; G. Co’; A. M. Lallena


Book ID
105700251
Publisher
Springer-Verlag
Year
1999
Weight
293 KB
Volume
112
Category
Article
ISSN
0369-3546

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Spin-extended hartree—fock indo calculat
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The spin~xtcnd~ Hertree-rock method in INDO approximation IS preqcntcd. ~ ¶c~techkin's EHF equations are soIvcd iteratively by the method of steepest descent. Efff spin and charge densities, ~uiiibrlum errergres and interatomic distances for some small radicals are compared with the results of the o