| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5372616 | Chemical Physics | 2017 | 7 Pages |
Abstract
A computational scheme of energy- and geometry-dependent photoelectron signals from the dynamics near a conical intersection based on a simplified path-branching representation of nonadiabatic electron wavepacket dynamics is proposed. Taking the NO2X/A conical intersection as an example, the results of the present scheme compared to those from previous study based on the method of full quantum vibrational wavepacket shows qualitative agreement suggesting promising application to computation in larger systems intractable to full quantum exact methods.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yasuki Arasaki, Kazuo Takatsuka,