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  • Running ChronusQ

Running ChronusQ · History

Page version Author Changes Last updated
515dfa70 Hang Hu Update Running ChronusQ for docker images Dec 08, 2020
8ccb9be9 Andrew Wildman Update Running ChronusQ Dec 08, 2020
3a343bf5 Andrew Wildman Replace old wiki with new one Oct 13, 2020
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Overview and Features

Getting ChronusQ

Running ChronusQ

Input sections

     Overview
     QM
     Molecule
     Basis and DFBasis
     Ints
     DFTInts
     SCF
     RT
     Response
     CC
     Misc

FAQ

Examples

     HF energy
     Relativistic DFT Energy
     Linear Response TDDFT
     Frequency dependent TDHF
     Model Order Reduction of TDDFT
     Electron dynamics

Keyword Reference

Binary Reference