{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T11:13:01Z","timestamp":1760440381435},"reference-count":16,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":4267,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1993,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>We consider the tree search problem for the recurrence relation that appears in the evaluation of molecular integrals over Cartesian Gaussian basis functions. A systematic way of performing tree search is shown. By applying the result of tree searching to the LRL2 method of Lindh, Ryu, and Liu (LRL) (<jats:italic>J. Chem. Phys.<\/jats:italic>, <jats:bold>95<\/jats:bold>, 5889 1991), which is an auxiliary function\u2010based method, we obtain significant reductions of the floating point operations (FLOPS) counts in the K<jats:sup>4<\/jats:sup> region. The resulting FLOPS counts in the K<jats:sup>4<\/jats:sup> region are comparable up to [<jats:italic>dd<\/jats:italic>|<jats:italic>dd<\/jats:italic>] angular momentum cases to the LRL1 method of LRL, currently the method requiring least FLOPS for [<jats:italic>dd<\/jats:italic>|<jats:italic>dd<\/jats:italic>] and higher angular momentum basis functions. For [<jats:italic>ff<\/jats:italic>|<jats:italic>ff<\/jats:italic>], [<jats:italic>gg<\/jats:italic>|<jats:italic>gg<\/jats:italic>], [<jats:italic>hh<\/jats:italic>|<jats:italic>hh<\/jats:italic>], and [<jats:italic>ii<\/jats:italic>|<jats:italic>ii<\/jats:italic>] cases, the required FLOPS are 24, 40, 51, and 59%, respectively, less than the LRL1 method in the K<jats:sup>4<\/jats:sup> region. These are the best FLOPS counts available in the literature for high angular momentum cases. Also, there will be no overhead in either the K<jats:sup>2<\/jats:sup> or K<jats:sup>0<\/jats:sup> region in implementing the present scheme. This should lead to more efficient codes of integral evaluations for higher angular momentum cases than any other existing codes. \u00a9 1993 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540140107","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:57:18Z","timestamp":1104627438000},"page":"30-36","source":"Crossref","is-referenced-by-count":5,"title":["Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions"],"prefix":"10.1002","volume":"14","author":[{"given":"Ungsik","family":"Ryu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Myeongcheol","family":"Kim","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yoon Sup","family":"Lee","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1002\/jcc.540030314","volume":"3","author":"Alml\u00f6f J.","year":"1982","journal-title":"J. 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