Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements-Reference-Cited by-同舟云学术

Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements

Published:2017-01-06 Issue:3 Volume:13 Page:1094-1101
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Teodoro Tiago Quevedo¹²,Visscher Lucas²,da Silva Albérico Borges Ferreira¹,Haiduke Roberto Luiz Andrade¹

Affiliation:

1. Department of Chemistry and Molecular Physics, São Carlos Institute of Chemistry, University of São Paulo, Trabalhador São-carlense Av. 400, São Carlos, Brazil

2. Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Funder

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00650

Reference33 articles.

1. Relativistic Gaussian basis sets for the elements K - Uuo

2. A question of balance: Kinetic balance for electrons and positrons

3. Prolapses in four-component relativistic Gaussian basis sets

4. Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

5. Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

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