Q-Chem 5.0 User’s Manual
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6 Open-Shell and Excited-State Methods
6.1 General Excited-State Features
6.2 Uncorrelated Wave Function 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: The ADC(
) Family
6.9 Restricted Active Space Spin-Flip (RAS-SF) and Configuration Interaction (RAS-CI)
6.10 Core Ionization Energies and Core-Excited States
6.11 Real-Time SCF Methods (RT-TDDFT, RT-HF, OSCF2)
6.12 Visualization of Excited States