Ab initio computations in atoms and molecules

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[1] Clementi, Enrico
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Clementi, Enrico | 1600年 / IBM, Armonk, NY, United States卷 / 44期
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The ab initio computation for atomic and molecular wave functions is analyzed. The Roothaan-Hartree-Fock method is described for the atomic systems. Techniques for computing for many-center, two-electron matrix elements are discussed for Slater or Gaussian basis sets.
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