# Calculation of the molecular integrals with the range-separated correlation factor.

@article{Sikowski2015CalculationOT, title={Calculation of the molecular integrals with the range-separated correlation factor.}, author={Michał Siłkowski and Michał Lesiuk and Robert Moszynski}, journal={The Journal of chemical physics}, year={2015}, volume={142 12}, pages={ 124102 } }

Explicitly correlated quantum chemical calculations require calculations of five types of two-electron integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the McMurchie-Davidson technique, to compute these integrals when the so-called "range-separated" correlation factor is used. This correlation factor combines the well-known short range behaviour resulting from the electronic cusp condition, with the exact long-range…

## 5 Citations

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