|
|||||
|
|
Accurate calculation of Fourier transform of two-center Slater orbital products |
|
| Authors: | Hendrik J Monkhorst Frank E Harris |
| Abstract: | A method is presented which leads to accurate Fourier transform values of any 1s?1s Slater-type orbital overlap distribution. The numerical merits are discussed and illustrated by some examples. |
| Keywords: | |