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Potential energy surface information |
| System | O4 |
| ID | O4_triplet_v2 |
| Number of bodies | 4 |
| Common name | O4 triplet (adiabatic ground state) |
| Functional form | permutation-invariant polynomials |
| Interface | Section-2 |
| Number of electronic surfaces | 1 |
| Number of derivatives | 1 |
| References | Y. Paukku, Z. Varga, D. G. Truhlar, to be published (Feb. 09, 2018)
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| Notes | PES of quintet O4 with special emphasize for
O2 + O2 --> O2 + O + O
- Fit is based on extended dataset
containing 10180 points
- Mixed-exponential- gaussian (MEG)
variables are applied to describe the
long-range interactions
- D3 dispersion correction is implemented for diatoms
A test suite can be downloaded by clicking on the link of "You may download the data file here." at the download page. (5/18/2021)
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