ZORA Gaussian basis sets for Fr, Ra, and Ac

Author:

Neto Antônio CanalORCID,Jorge Francisco EliasORCID,Gomes ThiebersonORCID

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Reference41 articles.

1. Pyykkö P (1988) Relativistic effects in structural chemistry. Chem Rev 88:563

2. Zerner MC, Salahub D (1989) The challenge of d- and f-electrons. American Chemical Society, Washington

3. Kaltsoyannis N, Hay PJ, Li J (2006) Blaudeau, J.P., Bursten, B.E.: The chemistry of the actinide and transactinide elements. Morss LR, Edelstein N, Fuger J (Eds.), 3rd edn. Springer, Dordrecht 

4. Dolg,M (2000) Effective core potentials. In Modern methods and algorithms of quantum chemistry. Grotendorst J (Ed.), 2nd edn. John von Neumann Institute for Computing. Jülich 3

5. Frenking G, Antes I, Böhme M, Dapprich S, Ehlers AW, Jonas V, Neuhaus A, Otto M, Stegmann R, Veldkamp A, Vyboishchikov SF (1996) Pseudopotential calculations of transition metal compounds: scope and limitations. Rev Comp Chem 8:63

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