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  • ChronusQ
  • chronusq_publicchronusq_public
  • Wiki
  • Input sections
  • QM

QM · History

Page version Author Changes Last updated
f9c8d92e Ben Link
Update QM
May 12, 2022
1ccb8c27 Ben Link
Update QM and PROTQM
May 12, 2022
70ec3d9f Ben Link
Update QM
Mar 23, 2022
07f8ea8c Ben Link
Add NEO description for QM section
Mar 23, 2022
b0c5f355 Tianyuan Zhang
Update QM
Sep 08, 2021
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