Adhikari, Satrajit ; Billing, Gert D. (1999) The Hermite correction method for nonadiabatic transitions The Journal of Chemical Physics, 111 (1). pp. 48-53. ISSN 0021-9606.
Full text not available from this repository.
Official URL: http://doi.org/10.1063/1.479252
Related URL: http://dx.doi.org/10.1063/1.479252
Abstract
We have performed molecular dynamics simulations on a system where electronic transitions are allowed anywhere in configuration space among any number of coupled states. A classical path theory based on the Hermite correction to the Gaussian wave packet expansion, proposed by Gert D. Billing has been used. The calculations are carried out on the same model used by J. C. Tully and the transition probabilities agree well with corresponding exact quantum mechanical results.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 136372 |
| Deposited On: | 20 May 2025 07:40 |
| Last Modified: | 20 May 2025 07:40 |
Repository Staff Only: item control page
