Computational Chemistry

  1. Excited States and Photochemistry
    1. Electronic Excitations
      1. Vertical Excitations
        1. Adiabatic Excitations
          1. Oscillator Strengths
            1. Transition Dipole Moments
            2. Time-Dependent DFT
              1. Linear Response Theory
                1. Tamm-Dancoff Approximation
                  1. Range-Separated Functionals
                    1. Charge-Transfer Excitations
                    2. Configuration Interaction Methods
                      1. CIS Method
                        1. CIS(D) Corrections
                          1. Multi-Reference CI
                          2. Coupled Cluster Response Theory
                            1. CC2 Method
                              1. CCSD Response
                                1. EOM-CCSD Method
                                2. Multi-Reference Methods
                                  1. CASSCF Method
                                    1. CASPT2 Method
                                      1. MRCI Method
                                      2. Photochemical Processes
                                        1. Conical Intersections
                                          1. Surface Hopping
                                            1. Non-Adiabatic Dynamics
                                              1. Photoisomerization

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                                            12. Free Energy Methods

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                                            14. Solid State and Materials