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The performance of the resulting program MPGRAD (BIOSYM Corp., San Diego, CA) is demonstrated in applications to the molecules [AlSi(CH<jats:sub>3<\/jats:sub>)<jats:sub>3<\/jats:sub>]<jats:sub>4<\/jats:sub> and ferrocene. The largest calculation involved 492 basis functions and was carried out on IBM RS\/6000 workstations with memory sizes of 32 and 128 Mb. The ratio of CPU to wallclock time exceeds 90% in all typical applications. \u00a9 1993 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540140805","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:02:31Z","timestamp":1104627751000},"page":"907-912","source":"Crossref","is-referenced-by-count":171,"title":["Semidirect MP2 gradient evaluation on workstation computers: The MPGRAD program"],"prefix":"10.1002","volume":"14","author":[{"given":"Frank","family":"Haase","sequence":"first","affiliation":[]},{"given":"Reinhart","family":"Ahlrichs","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030314"},{"key":"e_1_2_1_2_3","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540070305"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100111"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.46.618"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560310322"},{"key":"e_1_2_1_6_2","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/0009-2614(88)85250-3","volume":"153","author":"Head\u2010Gordon M.","year":"1988","journal-title":"Chem. 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