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

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License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

Linux, IBM AIX, Mac

Intended Audience

Science/Research

Programming Language

Fortran

Related Categories

Fortran Molecular Science Software

Registered

2011-05-27