We propose that the second moments of a generalized radius be used as a criterion to select the "best" resonance wave function and energy from a series of stabilization calculations performed as a function of a real scale parameter. The method is tested for the collinear H+FH→HF+H reaction and the coplanar H+H2→H2+H reaction and is then used to predict 12 resonance energies for the coplanar H+FH→HF+H reaction. All calculations are performed on model potential energy surfaces to allow for comparison with previous related theoretical studies.
|Original language||English (US)|
|Number of pages||5|
|Journal||The Journal of chemical physics|
|State||Published - Dec 1 1985|