| Potential energy surface information | |
| System | O4 |
| ID | O4_singlet |
| Number of bodies | 4 |
| Common name | O4 singlet (adiabatic ground state) |
| Functional form | permutation-invariant polynomials |
| Interface | Section-2 |
| Number of electronic surfaces | 1 |
| Number of derivatives | 1 |
| References | Y. Paukku, K. R. Yang, Z. Varga, G. Song, J. D. Bender,D. G. Truhlar J.Chem.Phys. |
| Notes | PES of singlet O4 with special emphasize for O2 + O2 --> O2 + O + O - Fit is based on extended dataset containing 12684 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) |