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QUANTUM CHEMISTRY COMPUTATIONS IN MOMENTUM SPACE 143
and by applying the Fourier transform to Eq. 3, we get the momentum space RHF
equation. The linearity of the Fourier transformation allows a separate treatment of each
of the terms occurring in the Hartree Fock equation.
Kinetic energy term.
The integral in Eq. 4 is readily evaluated if is replaced by its inverse Fourier
transform. After rearrangement of the terms, one finds that the integral over r yields the
delta function Carrying out the remaining integral yields the final expression.
By convention is a shorthand for the dot product both |p| and
p will be used to denote the length of vector p.
Nuclear attraction, electron-electron repulsion, and exchange terms.
and
