Author: Klaus May (www.KlausMay.com) ; Creation date: 4 March 2007 ; Last modification date: 24 September 2009

TURBOMOLE Basis Set Library

Period/Group

1

2

3

4

5

6

7

8

9

10

11

12

13

14

15

16

17

18

1

 H He

2

 Li Be B C N O F Ne

3

 Na Mg Al Si P S Cl Ar

4

 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr

5

 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe

6

 Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn

7

 Fr Ra Ac Rf Db Sg Bh Hs Mt Ds Rg

6 Lanthanoide

 Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu

7 Actinoide

 Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr

Basis: All/ECP: Zeta: Format:

H-Kr : only all electron basen
Rb-Xe: all electron- and ECP-basen
Cs-Lr: only ECP-basen




List of references:
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[3] B. Metz, H. Stoll, M. Dolg; J. Chem. Phys. 113, 2563 (2000). [4] Bergner, Kuechle, Stuttgart, Arbeitsbericht 1990
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[7] M. Dolg, H. Stoll, H. Preuss; Theor. Chim. Acta 85,441(1993) [8] B. Metz, M. Schweizer, H. Stoll, M. Dolg, W. Liu; Theor. Chem. Acc. 104, 22(2000)
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[10a]W. Kuechle, M. Dolg, H. Stoll, H. Preuss; Mol. Phys 74, 1245 (1991) [10b]P. Schwerdfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker, P.D.W. Boyd; J. Chem. Phys. 91, 1762 (1989)
[10c] A. Nicklass, M. Dolg, H. Stoll, H. Preuss; J. Chem. Phys. 94,1360 (1991) [11] F. Weigend, R. Ahlrichs; Phys. Chem. Chem. Phys. 7, 3297(2005)
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[14] K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs; Theor. Chem. Acc. 97, 119 (1997) [15] F. Weigend; Phys. Chem. Chem. Phys. 8, 1057(2006)
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[17] F. Weigend, M. Haeser, H. Patzelt, R. Ahlrichs; Chem. Phys. Lett. 294, 143 (1998) [18] A. Hellweg, C. Haettig, S. Hoefener, W. Klopper; Theoretical Chemistry Accounts 117, 587(2007)
[18a] C. Haettig; Phys. Chem. Chem. Phys. 7, 59(2005) [18b] F. Weigend, A. Koehn, C. Haettig; J. Chem. Phys. 116, 3175 (2002)
[19] F. Weigend; Phys. Chem. Chem. Phys. 4, 4285 (2002) [20] F. Weigend; J. Comput. Chem. 29, 167 (2007)
[21] R. Ahlrichs, K. May; Phys. Chem. Chem. Phys. 2, 943 (2000)