Q-Chem 5.1 User’s Manual
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13 Fragment-Based Methods
13.1 Introduction
13.2 Specifying Fragments in the
$molecule
Section
13.3 FRAGMO Initial Guess for SCF Methods
13.4 Locally-Projected SCF Methods
13.5 The First-Generation ALMO-EDA and Charge-Transfer Analysis (CTA)
13.6 Job Control for Locally-Projected SCF Methods
13.7 The Second-Generation ALMO-EDA Method
13.8 The MP2 ALMO-EDA Method
13.9 The Adiabatic ALMO-EDA Method
13.10 The Explicit Polarization (XPol) Method
13.11 Symmetry-Adapted Perturbation Theory (SAPT)
13.12 The XPol+SAPT (XSAPT) Method
13.13 Energy Decomposition Analysis based on SAPT/cDFT
13.14 The Many-Body Expansion Method
13.15
Ab Initio
Frenkel Davydov Exciton Model (AIFDEM)
13.16 TDDFT for Molecular Interactions
13.17 The ALMO-CIS and ALMO-CIS+CT methods