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Nancy_EX

Quantum Chemistry: Excited States Topology

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Description

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.

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Features

  • Excited States Analysis
  • Quantum Chemistry Characterization
  • Charge-Transfer Systems
  • Photochemistry and Photophysics

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Additional Project Details

Intended Audience

Science/Research

Programming Language

Fortran

Registered

2011-05-27
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