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BibTeX entry
@Article{Hertwig:1995:ADF,
author = "Roland H. Hertwig and Wolfram Koch",
title = "On the accuracy of density functionals and their basis
set dependence: an extensive study on the main group
homonuclear diatomic molecules {Li$_2$} to {Br$_2$}",
journal = j-J-COMPUT-CHEM,
volume = "16",
number = "5",
pages = "576--585",
month = may,
year = "1995",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540160506",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 14:54:30 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1990.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "7 Sep 2004",
}
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- $_2$,
11(1)1,
11(5)576,
11(7)765,
11(8)924,
12(1)52,
12(5)565,
12(6)705,
12(6)717,
12(9)1047,
12(10)1237,
13(2)142,
13(4)423,
13(6)718,
13(9)1037,
13(9)1066,
14(11)1326,
14(12)1491,
15(3)346,
15(10)1176,
15(12)1341,
16(4)465,
16(6)768,
16(8)1027,
17(1)42,
17(7)821,
17(7)835,
17(8)919,
17(9)1163,
17(11)1339,
18(9)1124,
18(9)1167,
18(14)1792,
19(11)1205,
19(15)1698,
20(1)70,
20(8)772,
20(10)989,
20(11)1138,
20(12)1281,
20(13)1343,
20(13)1432
- accuracy,
12(7)909,
14(10)1240,
17(3)350,
17(8)1025,
18(2)268,
18(4)449,
18(8)1072,
20(14)1571
- basis,
11(4)518,
11(8)930,
11(10)1206,
12(4)421,
12(6)690,
12(6)697,
12(6)751,
12(8)923,
13(2)142,
13(2)148,
13(10)1199,
14(1)30,
14(3)285,
14(6)736,
14(11)1364,
15(6)653,
16(8)984,
17(4)386,
17(5)490,
17(10)1276,
17(11)1359,
17(12)1431,
17(13)1559,
18(3)343,
18(6)775,
18(9)1190,
18(9)1200,
18(13)1565,
18(15)1918,
19(8)858,
20(2)207,
20(2)274,
20(6)604,
20(15)1593
- Br,
14(8)913,
19(11)1205
- density,
11(3)361,
11(6)663,
12(2)220,
12(10)1198,
13(1)70,
13(9)1119,
15(8)875,
15(10)1113,
16(1)113,
16(2)133,
16(2)226,
16(5)654,
16(8)937,
16(9)1067,
16(11)1315,
16(12)1483,
17(1)19,
17(7)757,
17(7)767,
17(7)835,
17(7)841,
17(8)954,
17(11)1287,
17(11)1309,
17(13)1508,
17(16)1848,
18(1)126,
18(2)260,
18(3)330,
18(3)416,
18(4)489,
18(5)638,
18(6)775,
18(8)980,
18(9)1113,
18(12)1523,
18(12)1534,
18(13)1609,
18(14)1695,
18(15)1943,
18(16)1985,
18(16)2023,
18(16)2075,
19(2)154,
19(3)290,
19(3)308,
19(4)418,
19(9)989,
19(10)1179,
19(12)1337,
19(12)1421,
19(14)1596,
19(15)1746,
19(16)1887,
19(16)1899,
20(1)1,
20(1)2,
20(1)12,
20(1)23,
20(1)31,
20(1)51,
20(1)63,
20(1)70,
20(1)129,
20(1)155,
20(2)200,
20(2)207,
20(3)365,
20(9)911,
20(12)1292,
20(12)1299,
20(13)1343,
20(14)1517,
36(30)2270
- dependence,
13(2)142,
13(5)622,
13(9)1119,
14(3)353,
14(7)858,
18(6)775,
19(10)1179,
20(10)1018
- diatomic,
12(4)469,
12(6)690,
13(9)1103,
14(11)1320,
14(12)1440,
14(12)1519,
15(2)144,
16(6)723,
18(11)1407,
19(1)94,
19(11)1315,
20(1)155
- functional,
12(7)803,
13(1)70,
15(2)162,
15(8)875,
15(9)919,
16(2)226,
16(5)654,
16(9)1067,
16(11)1315,
16(12)1483,
17(7)757,
17(7)767,
17(7)835,
17(7)841,
17(11)1309,
17(13)1508,
17(16)1848,
18(1)126,
18(2)260,
18(3)330,
18(4)489,
18(6)775,
18(7)849,
18(8)980,
18(12)1523,
18(12)1534,
18(13)1609,
18(14)1695,
18(15)1943,
18(16)1985,
18(16)2075,
19(2)154,
19(3)290,
19(3)300,
19(3)308,
19(4)418,
19(9)989,
19(12)1421,
19(14)1596,
19(15)1746,
19(16)1887,
19(16)1899,
20(1)1,
20(1)2,
20(1)12,
20(1)23,
20(1)31,
20(1)51,
20(1)63,
20(1)70,
20(1)129,
20(1)155,
20(2)200,
20(2)207,
20(12)1292,
20(12)1299,
20(13)1343,
36(30)2270
- group,
11(5)589,
11(5)636,
12(7)811,
13(2)165,
13(6)772,
14(4)471,
14(5)549,
14(10)1172,
14(12)1446,
15(2)162,
15(3)322,
15(6)596,
15(8)858,
15(12)1437,
16(8)1027,
16(12)1474,
18(2)221,
18(6)757,
18(13)1668,
19(2)168,
19(10)1141,
20(11)1145
- Hertwig, Roland H.,
19(14)1604
- Koch, Wolfram,
14(3)285,
15(10)1151,
16(1)31,
19(14)1604
- Li,
11(2)249,
19(13)1456
- main,
15(6)596,
18(12)1450
- molecule,
11(1)64,
11(1)67,
11(1)82,
11(1)88,
11(3)396,
11(4)440,
11(5)548,
11(5)629,
11(6)680,
11(7)765,
12(1)17,
12(1)91,
12(2)172,
12(3)342,
12(4)469,
12(4)487,
12(5)546,
12(6)690,
12(8)1033,
13(2)229,
13(3)371,
13(5)595,
13(6)675,
13(7)838,
13(7)901,
13(10)1171,
14(1)89,
14(2)138,
14(3)253,
14(4)478,
14(6)691,
14(9)1050,
14(9)1066,
14(10)1172,
14(10)1240,
14(11)1407,
14(12)1440,
14(12)1482,
14(12)1498,
15(1)80,
15(2)144,
15(2)162,
15(4)377,
15(4)424,
15(4)446,
15(4)466,
15(7)733,
15(9)937,
15(10)1121,
15(10)1139,
15(12)1437,
16(6)743,
16(8)923,
16(8)1011,
16(8)1038,
16(11)1405,
16(11)1420,
16(12)1483,
17(1)19,
17(7)864,
17(7)910,
17(9)1171,
17(11)1352,
17(14)1645,
18(1)1,
18(2)277,
18(3)343,
18(5)638,
18(6)826,
18(10)1264,
18(11)1344,
18(11)1407,
18(12)1473,
18(12)1496,
18(13)1609,
18(13)1656,
18(16)2075,
19(1)94,
19(5)524,
19(8)893,
19(11)1205,
19(11)1315,
19(12)1421,
19(13)1526,
19(14)1663,
19(15)1736,
19(16)1834,
19(16)1899,
20(1)155,
20(4)443,
20(6)610,
20(8)760,
20(8)799,
20(10)1028,
20(11)1186
- set,
2(0)xiii--1462-i,
11(4)518,
11(5)623,
11(8)930,
11(9)1047,
11(10)1206,
12(4)421,
12(6)690,
12(6)697,
12(6)751,
12(8)918,
12(8)923,
13(2)142,
13(2)148,
14(3)285,
14(11)1364,
15(6)653,
16(4)414,
17(4)386,
17(10)1276,
17(11)1359,
17(12)1431,
18(2)182,
18(3)343,
18(6)775,
18(9)1190,
18(9)1200,
18(13)1565,
18(15)1918,
19(7)769,
19(8)858,
20(2)207,
20(2)274,
20(6)604,
20(14)1495,
20(15)1593