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• Computational chemistry
  ... ume = 70 | pages = 271–316 | date = 1997 }} </ref> The first ab initio [[Hartree-Fock]] calculations on diatomic molecules were carried out in 1956 at MIT, usin ... ... ypes of calculations (known as [[post-Hartree-Fock]] methods) begin with a Hartree-Fock calculation and subsequently correct for electron-electron repulsion, refe ...
  29 KB (4051 words) - 07:26, 25 August 2008

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