Nancy_EX

Quantum Chemistry: Excited States Topologies

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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.

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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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