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9 Effective Core Potentials

• 9.1 Introduction
• 9.2 ECP Fitting
• 9.3 Built-In ECPs
• 9.4 User-Defined ECPs
• 9.5 ECPs and Electron Correlation
• 9.6 Forces and Vibrational Frequencies with ECPs
• 9.7 A Brief Guide to Q-Chem’s Built-In ECPs