Introduction [view]
      scf [view]
      tddft [view]
           Closed-shell Systems : R-TD-DFT [view]
           Open-shell Systems : U-TD-DFT and spin-adapted TD-DFT for spin-conserving excitations [view]
           TD-DFT with spin-flip calculations [view]
           Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations [view]
           TD-DFT with SOC [view]
           TD-DFT with SOC: open-shell systems [view]
           TD-DFT with SOC: Kramers pairs [view]
           Excitation analyze based on molecular fragments [view]
           Nto analyze [view]
           Alternative of TD-DFT: particle-particle TDA (pp-TDA) based properties [view]
           Plot Gaussian-broadened spectra [view]
      mp2 [view]
      bdfopt [view]
      mcscf [view]
      localmo [view]
      expandmo [view]
      grad [view]
      resp [view]
      numgrad [view]
      traint [view]
      vgmfci [view]
      nmr [view]
      ccsdso [view]
      autofrag [view]
      xianci [view]
      bdfeasyinput [view]
      KnownProblems [view]
      Define your own basis set [view]
      Change the amount of HF exchange in functionals [view]
      compass [view]
      xuanyuan [view]
      noxci [view]
      nrcc [view]