Name
Abstract | ||
|---|---|---|
We discuss a six-dimensional, time-dependent real wavepacket (RWP) code designed to obtain reaction probabilities for ABC(vI)+D→AB+CD four-atom reactions, where vI is a collective index for the initial quantum state of the triatomic molecule. The code provides exact results for total angular momentum J=0, and invokes the helicity decoupling (or centrifugal sudden) approximation for J>0. Our new RWP code has been extensively checked by considering the benchmark H+H2O→H2+OH abstraction reaction. |
Year | DOI | Venue |
|---|---|---|
2008 | 10.1016/j.cpc.2008.09.005 | Computer Physics Communications |
Keywords | DocType | Volume |
31.15.-p,34.50.-s,34.50.Lf | Journal | 179 |
Issue | ISSN | Citations |
10 | 0010-4655 | 0 |
PageRank | References | Authors |
0.34 | 1 | 3 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Jordi Mayneris | 1 | 0 | 0.34 |
| Miguel González | 2 | 0 | 0.68 |
| Stephen K. Gray | 3 | 13 | 4.23 |