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  • Running ChronusQ

Running ChronusQ · History

Page version Author Changes Last updated
8a38f51a Chad Hoyer
Update Running ChronusQ
Sep 20, 2021
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
Clone repository

Overview and Features

Getting ChronusQ

Running ChronusQ

Input sections

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