An open source code for the analysis of electronic excited states:
Natural Transition Orbitals;
Detachment and Attachment Density Matrices;
Quantum Chemical Charge-Transfer Descriptors.
The code is intended to postprocess Gaussian 03 and 09 outputs.
Important Note: A new release with better compilation option has been released on November the 9th 2015. We strongly advise to use this one since the previous option may have led to some unexpected bugs.
Features
- Excited States Analysis
- Quantum Chemistry Characterization
- Charge-Transfer Systems
- Photochemistry and Photophysics
Categories
Molecular ScienceLicense
GNU General Public License version 3.0 (GPLv3)Follow Nancy_EX
Other Useful Business Software
Auth0 B2B Essentials: SSO, MFA, and RBAC Built In
Auth0's B2B Essentials plan gives you everything you need to ship secure multi-tenant apps. Unlimited orgs, enterprise SSO, RBAC, audit log streaming, and higher auth and API limits included. Add on M2M tokens, enterprise MFA, or additional SSO connections as you scale.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of Nancy_EX!