Cerium Basis Set:

Used in following studies:

1) Theoretical Studies of CeO2 and Ce2O3 using Screened Hybrid Density Functionals;
P. Jeffrey Hay and Richard L. Martin, Jamal Uddin, and Gustavo E. Scuseria, Journal of Chemical Physics (in press)

Note: The basis set should be used in combination with the Stuttgart small-core relativistic pseudopotential (D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990). )

 Cerium 0
 S 10 1.00
     Exponent=  3.8985983000D+03 Coefficients=  1.3970000000D-04
     Exponent=  5.8756214000D+02 Coefficients=  7.2520000000D-04
     Exponent=  5.6228957000D+01 Coefficients=  7.1078300000D-02
     Exponent=  4.0163540000D+01 Coefficients= -3.7917800000D-01
     Exponent=  2.8688243000D+01 Coefficients=  6.4059940000D-01
     Exponent=  1.1672115000D+01 Coefficients= -9.7247020000D-01
     Exponent=  3.0413330000D+00 Coefficients=  9.6978000000D-01
     Exponent=  1.5677130000D+00 Coefficients=  4.2892250000D-01
     Exponent=  5.9583000000D-01 Coefficients=  2.0554500000D-02
     Exponent=  2.6355300000D-01 Coefficients= -2.2324000000D-03
 S 10 1.00
     Exponent=  3.8985983000D+03 Coefficients= -6.9000000000D-05
     Exponent=  5.8756214000D+02 Coefficients= -4.0850000000D-04
     Exponent=  5.6228957000D+01 Coefficients= -2.6403800000D-02
     Exponent=  4.0163540000D+01 Coefficients=  1.5336130000D-01
     Exponent=  2.8688243000D+01 Coefficients= -2.7909240000D-01
     Exponent=  1.1672115000D+01 Coefficients=  4.9017450000D-01
     Exponent=  3.0413330000D+00 Coefficients= -7.0069850000D-01
     Exponent=  1.5677130000D+00 Coefficients= -5.1493310000D-01
     Exponent=  5.9583000000D-01 Coefficients=  7.8569350000D-01
     Exponent=  2.6355300000D-01 Coefficients=  6.3573450000D-01
 S 10 1.00
     Exponent=  3.8985983000D+03 Coefficients=  1.9600000000D-05
     Exponent=  5.8756214000D+02 Coefficients=  1.1570000000D-04
     Exponent=  5.6228957000D+01 Coefficients=  7.3799000000D-03
     Exponent=  4.0163540000D+01 Coefficients= -4.2754800000D-02
     Exponent=  2.8688243000D+01 Coefficients=  7.7962500000D-02
     Exponent=  1.1672115000D+01 Coefficients= -1.3885850000D-01
     Exponent=  3.0413330000D+00 Coefficients=  2.1118500000D-01
     Exponent=  1.5677130000D+00 Coefficients=  1.6348300000D-01
     Exponent=  5.9583000000D-01 Coefficients= -3.0330910000D-01
     Exponent=  2.6355300000D-01 Coefficients= -4.4029860000D-01
 S 1 1.00
     Exponent=  1.5000000000D-01 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  2.2814544000D+02 Coefficients= -7.7430000000D-04
     Exponent=  2.8776453000D+01 Coefficients=  6.8490000000D-03
     Exponent=  2.0380804000D+01 Coefficients= -1.9584540000D-01
     Exponent=  1.4557717000D+01 Coefficients=  4.1690990000D-01
     Exponent=  4.1370340000D+00 Coefficients= -5.3956830000D-01
     Exponent=  2.1598480000D+00 Coefficients= -5.2377250000D-01
     Exponent=  1.0180830000D+00 Coefficients= -1.1545380000D-01
     Exponent=  5.5417000000D-01 Coefficients=  3.8796000000D-03
 P 8 1.00
     Exponent=  2.2814544000D+02 Coefficients= -3.1790000000D-04
     Exponent=  2.8776453000D+01 Coefficients= -5.2034000000D-03
     Exponent=  2.0380804000D+01 Coefficients= -5.6646800000D-02
     Exponent=  1.4557717000D+01 Coefficients=  1.5715660000D-01
     Exponent=  4.1370340000D+00 Coefficients= -2.9049120000D-01
     Exponent=  2.1598480000D+00 Coefficients= -3.0056880000D-01
     Exponent=  1.0180830000D+00 Coefficients=  8.3176000000D-02
     Exponent=  5.5417000000D-01 Coefficients=  5.2410620000D-01
 P 1 1.00
     Exponent=  1.5000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.6364100000D-01 Coefficients=  1.0000000000D+00
 D 6 1.00
     Exponent=  5.5999458000D+01 Coefficients=  4.6412000000D-03
     Exponent=  1.1830023000D+01 Coefficients= -1.3250350000D-01
     Exponent=  8.3587160000D+00 Coefficients=  2.3830960000D-01
     Exponent=  3.9389130000D+00 Coefficients=  4.5369990000D-01
     Exponent=  2.0038390000D+00 Coefficients=  3.8580690000D-01
     Exponent=  1.0045770000D+00 Coefficients=  1.4439740000D-01
 D 1 1.00
     Exponent=  1.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6585300000D-01 Coefficients=  1.0000000000D+00
 F 6 1.00
     Exponent=  6.5496711000D+01 Coefficients= -8.4158000000D-03
     Exponent=  2.4736907000D+01 Coefficients= -5.8247700000D-02
     Exponent=  1.0443073000D+01 Coefficients= -1.6141870000D-01
     Exponent=  4.6588320000D+00 Coefficients= -2.8572500000D-01
     Exponent=  2.0913040000D+00 Coefficients= -3.4994570000D-01
     Exponent=  9.1932100000D-01 Coefficients= -3.1362480000D-01
 F 1 1.00
     Exponent=  3.8133100000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.5000000000D-01 Coefficients=  1.0000000000D+00
 ****