Consistent Gaussian basis sets for solid-state calculations

By Michael F. Peintinger, Daniel Vilela Oliveira and Thomas Bredow



How to cite:
Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations.
J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153

Bibtex Eintrag

For further information please contact Michael Peintinger (mpei@thch.uni-bonn.de).

pob-TZVP.tar.gz

pob-TZVP.zip


01_H

03_Li

04_Be

05_B

06_C

07_N

08_O

09_F

11_Na

12_Mg

13_Al

14_Si

15_P

16_S

17_Cl

19_K

20_Ca

21_Sc

22_Ti

23_V

24_Cr

25_Mn

26_Fe

27_Co

28_Ni

29_Cu

30_Zn

31_Ga

32_Ge

33_As

34_Se

35_Br

Impressum Last modified 14.03.2017 W. Reckien