Abstract
The three-center integral of 12-1, with each electron described by a two-center product of integer-n Slater-type orbitals, is evaluated analytically. The result, obtained via the Fourier-transform convolution theorem, is an infinite sum involving spherical harmonics for the internuclear angular coordinates and exponential integral and spherical Bessel-type functions for the internuclear distances. The two-center exchange integral is evaluated as a special case. All results given are for general values of the n, l, m, and ζ parameters of the Slater-type orbitals.
| Original language | English |
|---|---|
| Pages (from-to) | 4116-4125 |
| Number of pages | 10 |
| Journal | Journal of Chemical Physics |
| Volume | 48 |
| Issue number | 9 |
| State | Published - 1968 |
| Externally published | Yes |
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