Two-dimensional fully numerical solution
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Leif Laaksonen; Pekka PyykkΓΆ; Dage Sundholm
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Article
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1983
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Elsevier Science
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English
β 222 KB
A fully numerical Hartree-Fock approach is developed for diatomic molecules. The eschange potential is solved reltiittg a local, Poisson-like equation. Improved Hattree-Fock limits are reported for LiH and BH.