Q-Chem 4.3 User’s Manual
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6 Open-Shell and Excited-State Methods
6.1 General Excited-State Features
6.2 Non-Correlated Wavefunction Methods
6.3 Time-Dependent Density Functional Theory (TDDFT)
6.4 Maximum Overlap Method (MOM) for SCF Excited States
6.5 Restricted Open-Shell Kohn-Sham Method for
-SCF Calculations of Excited States
6.6 Correlated Excited State Methods: the CIS(D) Family
6.7 Coupled-Cluster Excited-State and Open-Shell Methods
6.8 Correlated Excited State Methods: ADC(
) Family
6.9 Restricted active space spin-flip (RAS-SF) and configuration interaction (RAS-CI) methods
6.10 How to Compute Ionization Energies of Core Electrons and Excited States Involving Excitations of Core Electrons
6.11 Visualization of Excited States