{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,10,26]],"date-time":"2023-10-26T05:03:59Z","timestamp":1698296639808},"reference-count":46,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3721,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1994,7]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>We have applied the FEM\u2010MP2 method (an implementation of the <jats:italic>p<\/jats:italic>\u2010version finite element technique within the framework of second\u2010order M\u00f8ller\u2013Plesset perturbation theory, [<jats:italic>J. Chem. Phys.<\/jats:italic>, <jats:bold>98<\/jats:bold>, 5642 (1993), and references therein]) to calculate second\u2010order correlation energies for the atoms Be, Ca, Sr, Ba, Yb, Cd, and Hg and thus to complete our studies on closed\u2010shell elements. The FEM\u2010MP2 method permits the use of virtual orbitals of very high angular momentum (<jats:italic>l<\/jats:italic><jats:sub>max<\/jats:sub> = 12) in combination with radial basis sets which are very close to completeness, in such a way that we are able to obtain results that could be the most accurate published so far and, in some cases, the only values available in the literature. We hope they may be useful as a reference for basis set saturation tests and for new methods to calculate correlation energies. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150710","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:05:38Z","timestamp":1104627938000},"page":"782-790","source":"Crossref","is-referenced-by-count":8,"title":["High\u2010precision atomic computations from finite element techniques: Second\u2010order correlation energies for Be, Ca, Sr, Cd, Ba, Yb, and Hg"],"prefix":"10.1002","volume":"15","author":[{"given":"Jes\u00fas R.","family":"Flores","sequence":"first","affiliation":[]},{"given":"P.","family":"Redondo","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":"10.1103\/PhysRev.46.618"},{"key":"e_1_2_1_3_2","volume-title":"Electron Correlation in Molecules","author":"Wilson S.","year":"1984"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/11\/7\/015"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/11\/12\/008"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/11\/17\/009"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/11\/21\/009"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.21.45"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.26.2378"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.22.51"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/12\/18\/013"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/12\/19\/004"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/15\/8\/009"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/12\/3\/011"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.442742"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.448510"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/13\/20\/005"},{"key":"e_1_2_1_18_2","first-page":"207","volume":"74","author":"Jankowski K.","year":"1988","journal-title":"Acta Phys. Pol."},{"key":"e_1_2_1_19_2","doi-asserted-by":"crossref","first-page":"3694","DOI":"10.1063\/1.450918","volume":"85","author":"Wenzel K.","year":"1986","journal-title":"J. Chem. Phys."},{"key":"e_1_2_1_20_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.451543"},{"key":"e_1_2_1_21_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.455064"},{"key":"e_1_2_1_22_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.459922"},{"key":"e_1_2_1_23_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1668249"},{"key":"e_1_2_1_24_2","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1007\/BF00868860","volume":"27","author":"Webster B. C.","year":"1972","journal-title":"Theor. Chem. Acta"},{"key":"e_1_2_1_25_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/12\/24\/007"},{"key":"e_1_2_1_26_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560270604"},{"key":"e_1_2_1_27_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560340309"},{"key":"e_1_2_1_28_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.40.5559"},{"key":"e_1_2_1_29_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/18\/22\/008"},{"key":"e_1_2_1_30_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/14\/18\/006"},{"key":"e_1_2_1_30_3","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/23\/12\/006"},{"key":"e_1_2_1_31_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.438187"},{"key":"e_1_2_1_32_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.457320"},{"key":"e_1_2_1_33_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(92)85620-P"},{"key":"e_1_2_1_34_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.46.6063"},{"key":"e_1_2_1_35_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560450607"},{"key":"e_1_2_1_36_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464908"},{"key":"e_1_2_1_37_2","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/26\/15\/012"},{"key":"e_1_2_1_38_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.42.1160"},{"key":"e_1_2_1_39_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.42.2614"},{"key":"e_1_2_1_40_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.460540"},{"key":"e_1_2_1_41_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(91)90181-8"},{"key":"e_1_2_1_42_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.449481"},{"key":"e_1_2_1_43_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.462811"},{"key":"e_1_2_1_44_2","doi-asserted-by":"publisher","DOI":"10.1088\/0031-8949\/21\/3-4\/016"},{"key":"e_1_2_1_45_2","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/0010-4655(78)90057-7","volume":"14","author":"Froese\u2013Fischer C.","year":"1977","journal-title":"Comp. Phys. Comm."},{"key":"e_1_2_1_45_3","volume-title":"Methods and Techniques in Computational Chemistry: METECC\u201094","author":"Froese\u2013Fischer C.","year":"1993"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540150710","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540150710","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,25]],"date-time":"2023-10-25T08:43:16Z","timestamp":1698223396000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540150710"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1994,7]]},"references-count":46,"journal-issue":{"issue":"7","published-print":{"date-parts":[[1994,7]]}},"alternative-id":["10.1002\/jcc.540150710"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540150710","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1994,7]]}}}