Reference Label | Details |
---|---|
est unc | estimated uncertainty |
Mielke 1999 | S. L. Mielke, B.C. Garrett, and K. A. Peterson, J. Chem. Phys. 111, 3806-3811 (1999) The Utility of Many-Body Decompositions for the Accurate Basis Set Extrapolation of ab initio Data |
Mielke 2002 | S. L. Mielke, B.C. Garrett, and K. A. Peterson, J. Chem. Phys. 116, 4142-4161 (2002) 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 |
Garrett 1985 | B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 82, 4543-4547 (1985) Nuclear-Motion Corrections to Born–Oppenheimer Barrier Heights for Chemical Reactions |