Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen
Chemical Physics
2015-06-16 v1
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 Ko{\l} os-Wolniewicz functions are obtained with precision exceeding previous values by about 3 orders of magnitude.
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Cite
@article{arxiv.1307.6065,
title = {Efficient approach to two-centre exponential integrals with applications to excited states of molecular hydrogen},
author = {Krzysztof Pachucki},
journal= {arXiv preprint arXiv:1307.6065},
year = {2015}
}
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17 pages