Skip to content

GitLab

  • Menu
Projects Groups Snippets
    • Loading...
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
    • Contribute to GitLab
  • Sign in
  • chronusq_public chronusq_public
  • Project information
    • Project information
    • Activity
    • Labels
    • Planning hierarchy
    • Members
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributors
    • Graph
    • Compare
  • Issues 1
    • Issues 1
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 0
    • Merge requests 0
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Monitor
    • Monitor
    • Incidents
  • Analytics
    • Analytics
    • Value stream
    • CI/CD
    • Repository
  • Wiki
    • Wiki
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • ChronusQ
  • chronusq_publicchronusq_public
  • Wiki
  • Examples
  • sections

Last edited by Andrew Wildman Oct 13, 2020
Page history

sections

Sections under "Examples"

  • HF Energy (RHF SCF)
  • Relativistic DFT Energy (X2CKS SCF)
  • Linear response TDDFT (UKS Residue Response)
  • Frequency dependent TDHF (TDHF Frequency Dependent Response)
  • Model Order Reduction of TDDFT (RKS MOR)
  • Electron dynamics (RKS RT)
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