Q-Chem 5.1 User’s Manual
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7 Open-Shell and Excited-State Methods
7.1 General Excited-State Features
7.2 Uncorrelated Wave Function Methods
7.3 Time-Dependent Density Functional Theory (TDDFT)
7.4 Maximum Overlap Method (MOM) for SCF Excited States
7.5 Restricted Open-Shell Kohn-Sham Method for
-SCF Calculations of Excited States
7.6 Correlated Excited State Methods: The CIS(D) Family
7.7 Coupled-Cluster Excited-State and Open-Shell Methods
7.8 Correlated Excited State Methods: The ADC(
) Family
7.9 Restricted Active Space Spin-Flip (RAS-SF) and Configuration Interaction (RAS-CI)
7.10 Core Ionization Energies and Core-Excited States
7.11 Real-Time SCF Methods (RT-TDDFT, RT-HF, OSCF2)
7.12 Visualization of Excited States