Abstract
We present analytic recursion formulae sufficient to generate electron repulsion integrals calculated with σ‐type two‐centre basis functions. A simple calculation of the ground state energy of the hydrogen molecule, using some of the integrals generated by this method, yields total energies in fair agreement with more accurate values.
Original language | English |
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Pages (from-to) | 5-13 |
Number of pages | 9 |
Journal | Israel Journal of Chemistry |
Volume | 13 |
Issue number | 1 |
DOIs | |
State | Published - 1975 |