Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen

Krzysztof Pachucki

doi:10.1103/physreva.88.022507

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arXiv · 1307.6065

Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen

Krzysztof Pachucki

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Abstract

A general approach to evaluation of two-centre two-electron exponential integrals with arbitrary parameters is presented. The results for the Born-Oppenheimer potential for various excited states of molecular hydrogen with Koł os-Wolniewicz functions are obtained with precision exceeding previous values by about 3 orders of magnitude.

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Krzysztof Pachucki. 2013-07-23. Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen. https://doi.org/10.1103/physreva.88.022507

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