Optimal basis sets for CBS extrapolation of the correlation energy: oVxZ and oV(x+d)Z-Reference-Cited by-同舟云学术

Optimal basis sets for CBS extrapolation of the correlation energy: oVxZ and oV(x+d)Z

Published:2019-04-21 Issue:15 Volume:150 Page:154106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Varandas A. J. C.¹^ORCID,Pansini F. N. N.²^ORCID

Affiliation:

1. School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, China and Coimbra Chemistry Centre and Chemistry Department, University of Coimbra, Coimbra 3004-535, Portugal

2. Departamento de Física, Universidade Federal do Espírito Santo, Vitória 29075-910, Brazil

Funder

Fundação Estadual de Amparo à Pesquisa do Estado do Espírito Santo

Fundação para a Ciência e a Tecnologia

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5080512

Reference72 articles.

1. Coupled-cluster theory in quantum chemistry

2. Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water

3. Molecular Electronic-Structure Theory

4. Basis set selection for molecular calculations

5. Gaussian basis sets for molecular applications

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