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

Published 23 Jul 2013 in physics.chem-ph | (1307.6065v1)

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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