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A Hartree-Fock calculation of excited states of O16

✍ Scribed by W.H. Bassichis; G. Ripka


Publisher
Elsevier Science
Year
1965
Weight
219 KB
Volume
15
Category
Article
ISSN
0031-9163

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## Abstract When using quantum chemistry techniques to calculate the energetics of bulk crystals, there is a need to calculate the Hartree‐Fock (HF) energy of the crystal at the basis‐set limit. We describe a strategy for achieving this, which exploits the fact that the HF energy of crystals can no