Q-Chem 5.0 User’s Manual
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8 Effective Core Potentials
8.1 Introduction
8.2 ECP Reconstruction
8.3 Built-In ECPs
8.4 User-Defined ECPs
8.5 ECPs and Density Functional Theory
8.6 ECPs and Electron Correlation
8.7 ECPs, Forces and Vibrational Frequencies