Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics-Reference-Cited by-同舟云学术

Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics

Published:2014-10-17 Issue:43 Volume:118 Page:10127-10133
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Varandas A. J. C.¹,Galvão B. R. L.²

Affiliation:

1. Departamento de Quı́mica, Universidade de Coimbra, 3004-535 Coimbra, Portugal

2. Departamento de Quı́mica, Centro Federal de Educação Tecnológica de Minas Gerais, CEFET-MG, Av. Amazonas 5253, 30421-169 Belo Horizonte, Minas Gerais, Brazil

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação para a Ciência e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5087027

Reference64 articles.

1. Basis-set convergence of correlated calculations on water

2. Extrapolating to the one-electron basis-set limit in electronic structure calculations