Page 159 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer
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144 M. DEFRANCESCHI ET AL.
The above integrals are most conveniently reduced if is substituted by
the inverse Fourier transform of (resp. The steps for the
final expression of the nuclear term and the electron-electron repulsion term in p-
representation are summarized below :
Using the convolution theorem the content of the square brackets in Eq. 9 is rewritten as :
Defining a quantity Wij(q),
and introducing it in Eq. 9 leads to the expression for the two-electron term :
