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Two-dimensional fully numerical solutions of molecular Hartree-Fock equations: LiH and BH

✍ Scribed by Leif Laaksonen; Pekka Pyykkö; Dage Sundholm

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
222 KB
Volume
96
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

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