{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T12:50:22Z","timestamp":1761310222535},"reference-count":28,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3690,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1994,8]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Explicitly correlated Gaussian functions with <jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-2.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-2\" \/> exp( \u2212 \u03b2<jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-3.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-3\" \/>) factors have been used in variational calculations of the ground state of the helium atom. Additional correlation factors in the form of even powers of <jats:bold>r<\/jats:bold><jats:sub><jats:italic>ij<\/jats:italic><\/jats:sub> were introduced to the Gaussian functions with exponential correlation components by differentiating these functions with respect to the correlation exponent \u03b2. The algorithm of this method and its computational implementation is described. A number of calculations were performed for the ground state of helium atom to test the performance of the basis sets comparising different numbers of the Gaussians with the exp( \u2212 \u03b2<jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-4.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-4\" \/>) and <jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-5.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-5\" \/> exp( \u2212 \u03b2<jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-6.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-6\" \/>) correlation factors. The numerical results indicate that including functions with <jats:bold>r<\/jats:bold><jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-7.gif\" xlink:title=\"urn:x-wiley:01928651:media:JCC540150810:tex2gif-stack-7\" \/> factors does not lead to improved results, contrary to what was anticipated initially. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150810","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:06:06Z","timestamp":1104627966000},"page":"893-898","source":"Crossref","is-referenced-by-count":2,"title":["Explicitly correlated Gaussian functions with <b>r<\/b> factors for calculations of the ground state of the helium atom"],"prefix":"10.1002","volume":"15","author":[{"given":"Zhenghong","family":"Zhang","sequence":"first","affiliation":[]},{"given":"Ludwik","family":"Adamowicz","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","first-page":"1","volume":"1","author":"Hyllerrass E. A.","year":"1964","journal-title":"Adv. Chem. Phys."},{"key":"e_1_2_1_3_2","doi-asserted-by":"crossref","first-page":"1013","DOI":"10.1103\/PhysRevA.36.1013","volume":"36","author":"Fromm D. M.","year":"1987","journal-title":"Phys. Rev."},{"key":"e_1_2_1_4_2","series-title":"Proc. R. Soc. London Ser.","first-page":"402","author":"Boy F.","year":"1960"},{"key":"e_1_2_1_5_2","series-title":"Proc. R. Soc. London Ser.","first-page":"412","author":"Singer","year":"1960"},{"key":"e_1_2_1_6_2","doi-asserted-by":"crossref","first-page":"1047","DOI":"10.1063\/1.1726081","volume":"41","author":"Lester W. A.","year":"1964","journal-title":"J. Chem. Phys."},{"key":"e_1_2_1_6_3","first-page":"2990","volume":"41","year":"1965","journal-title":"J. Chem. Phys."},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130510"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677918"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.435370"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(77)80320-5"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560130302"},{"key":"e_1_2_1_12_2","first-page":"73","volume":"54","author":"Adamowicz L.","year":"1978","journal-title":"Acta Phys. Pol. A"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.437120"},{"key":"e_1_2_1_14_2","first-page":"73","volume":"54","author":"Adamowicz L.","year":"1978","journal-title":"Acta Phys. Pol. A"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(78)85420-7"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.444884"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.445672"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.447984"},{"key":"e_1_2_1_19_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.447984"},{"key":"e_1_2_1_20_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.461538"},{"key":"e_1_2_1_21_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.462259"},{"key":"e_1_2_1_22_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540140509"},{"key":"e_1_2_1_23_2","first-page":"55","volume":"15","author":"Zhang Z.","year":"1994","journal-title":"J. Comp. Chem."},{"key":"e_1_2_1_24_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1727605"},{"key":"e_1_2_1_25_2","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1007\/BF00527669","volume":"68","author":"Kutzelnigg W.","year":"1985","journal-title":"Chim. Acta"},{"key":"e_1_2_1_26_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.463827"},{"key":"e_1_2_1_27_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.128.1146"},{"key":"e_1_2_1_28_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.115.1216"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540150810","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540150810","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,24]],"date-time":"2023-10-24T19:38:04Z","timestamp":1698176284000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540150810"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1994,8]]},"references-count":28,"journal-issue":{"issue":"8","published-print":{"date-parts":[[1994,8]]}},"alternative-id":["10.1002\/jcc.540150810"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540150810","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1994,8]]}}}