A new, map-facilitated nonlinear inversion algorithm was used to extract a global Ar-HCl interaction potential from the rotationally resolved differential cross sections of Lorentz et al. as well as the accumulated rovibrational spectral data. During its search, the map-facilitated inversion optimization investigated >5×106 trial surfaces. Once the map was learned over its, relatively expansive domain, many different inversions could be performed without any additional close-coupled calculations.
|Original language||English (US)|
|Number of pages||14|
|Journal||Journal of Chemical Physics|
|State||Published - Nov 15 2001|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry