| Name | Modified | Size | Downloads / Week | Status |
|---|---|---|---|---|
| Totals: 2 Items | 3.0 MB | 2 | ||
| NANCY_EX-2.0.zip | 2014-10-30 | 3.0 MB |
1 |
|
| Readme_Nancy_EX.txt | 2014-10-08 | 698 Bytes |
1 |
Nancy_EX is a postprocessing tool to analyze the density and character of electronic excited states.
It is developed at the TMS laboratory of the Universite de Lorraine - Nancy and is written by X. Assfeld, T. Etienne, A. Monari, T. Very.
Current version is the 2.0 every use of the previous ones is strongly discouraged.
The major revision (Nancy_EX-2.0) includes many new features:
- NTOs and Attachement and Detachement Density Matrix
- Calculation of the Phi_S topological index
- TD-DFT functionals diagnostics
- Bug fixing
When using Nancy-EX-2.0 code please cite the followings:
Etienne et al. J. Chem. Theory Comp. (2014) 10 3896
Etienne et al. J. Chem. Theory Comp. (2014) 10 3906