| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381891 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
- Simplification of fourfold-way diabatization procedure.
- Improved algorithm for diabatic states for simulating photochemical dynamics.
- Complete active space SCF diabatic MOs for excited states with inclusion of dynamical correlation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ke R. Yang, Xuefei Xu, Donald G. Truhlar,