Benchmark calculations of the complete configuration-interaction limit of Born–Oppenheimer diagonal corrections to the saddle points of isotopomers of the H+H2 reaction-Reference-Cited by-同舟云学术

Benchmark calculations of the complete configuration-interaction limit of Born–Oppenheimer diagonal corrections to the saddle points of isotopomers of the H+H2 reaction

Published:2005-06-08 Issue:22 Volume:122 Page:224313
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Mielke Steven L.,Schwenke David W.,Peterson Kirk A.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1917838

Reference57 articles.

1. Zur Quantentheorie der Molekeln

2. The utility of many-body decompositions for the accurate basis set extrapolation of ab initio data

3. A hierarchical family of global analytic Born–Oppenheimer potential energy surfaces for the H+H2 reaction ranging in quality from double-zeta to the complete basis set limit

4. H+H2Thermal Reaction: A Convergence of Theory and Experiment

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