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Results tagged with integrals
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user 785
For 1- and 2-electron integrals in electronic structure calculations, before Hartree-Fock or some other type of self-consistent-field calculation, or the integral transformation which is done after HF or SCF.
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One-center two-electron integrals between 1s STO
Phys., 60, 4725 1974]
$\chi_1 = 2\zeta_1^{3/2}e^{-\zeta_1 r}Y^0_0$, and $\chi_2 = 2\zeta_2^{3/2}e^{-\zeta_2 r}Y^0_0$
One electron integrals are straight forward and I was able to get the correct answer … Two electron integrals are defined in the Levine book as :
$$
(rs|tu) = \int \int \frac{\chi^*_r(1)\chi_s(1)\chi_t^*(2)\chi_u(2)}{r_{12}} dv_1dv_2
$$
user @TAR86 from the Chemistry SE suggested that …
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