Abstract
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) |
---|---|
Pages (from-to) | 192-196 |
Number of pages | 5 |
Journal | The Journal of chemical physics |
Volume | 84 |
Issue number | 1 |
DOIs | |
State | Published - 1985 |