An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set-Reference-Cited by-同舟云学术

An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set

Published:1998-01 Issue:1 Volume:108 Page:154-176
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Feller David,Peterson Kirk A.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.475370

Reference53 articles.

1. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

2. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

3. Gaussian‐1 theory of molecular energies for second‐row compounds

4. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

5. A modification of the Gaussian‐2 approach using density functional theory

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