Compton profiles for the first and second row atoms
1971
Calculations of the atomic Compton profile and various 'moments of the momentum distributions' have shown that these physical properties are very sensitive to the choice of wavefunctions used to characterize the scattering system. The Compton profile and (pn) for n equal to -1, 1, 2 are studied for atoms in their ground state described by approximate HF GTO (Hartree-Fock Gaussian type orbitals) by Huzinaga. The results are compared with those obtained by a HF STO (Hartree-Fock Slater type orbitals) Clementi basis set. It appears that the calculated values are very similar for the two types of wavefunctions.
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