Adhikari, Satrajit ; Billing, Gert D. (1999) Hermite correction method in hyperspherical coordinates: Application to chemical reactions Chemical Physics Letters, 305 (1-2). pp. 109-116. ISSN 0009-2614
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Official URL: http://doi.org/10.1016/S0009-2614(99)00324-3
Related URL: http://dx.doi.org/10.1016/S0009-2614(99)00324-3
Abstract
The rotational product state distribution for the D+H2(v=1, j=1)→ HD(v'=1, j')+H reaction, has been calculated using the Hermite correction method in hyperspherical coordinates. We have also considered the geometric phase effect in our calculations either by introducing a vector potential in the system Hamiltonian or by multiplying the wavefunction by a phase factor. In the present application, we have investigated the performance of the simplest approach where only one time-dependent Gauss–Hermite basis function in the hyperradius is included.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 136374 |
| Deposited On: | 20 May 2025 07:40 |
| Last Modified: | 20 May 2025 07:40 |
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