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McKenzie, Simon Clayton
This thesis improves computational efficiency in two domains of quantum chemistry. Firstly, we improve the efficiency of computing atomic orbital (AO) integrals. We efficiently compute effective core potential integrals, relying on novel recursion re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______293::52c82c8ea753c7d2f1892eec47e33bab
https://hdl.handle.net/2123/23993
https://hdl.handle.net/2123/23993
