USP - Universidade de São Paulo
Universidade de São Paulo

Quadruple-Zeta Relativistic Prolase-free Gaussian Basis Set [(aug)-RPF-4Z]

Click on the links below to download the RPF-4z or aug-RPF-4Z basis sets:

RPF-4Z
aug-RPF-4Z

References are:

  • s– and p-block elements

Tiago Quevedo Teodoro, Albérico Borges Ferreira da Silva and Roberto Luiz Andrade Haiduke, J. Chem. Theory Comput. 2014 10 (9), pp 3800-3806

  • d-block elements

Tiago Quevedo Teodoro, Albérico Borges Ferreira da Silva and Roberto Luiz Andrade Haiduke, J. Chem. Theory Comput. 2014 10 (11), pp 4761-4764

  • f-block elements

Tiago Quevedo Teodoro, Lucas Visscher, Albérico Borges Ferreira da Silva and Roberto Luiz Andrade Haiduke, J. Chem. Theory Comput. 2017 13 (3), pp 1094-1101

 

All these sets can also be found in the Supporting Information of the respective papers.