• Previous: Q-Chem Output File
• Up: Q-Chem 5.1 User’s Manual
• Next: Overview

4 Self-Consistent Field Ground-State Methods

• 4.1 Overview
• 4.2 Theoretical Background
• 4.3 Basic SCF Job Control
• 4.4 SCF Initial Guess
• 4.5 Converging SCF Calculations
• 4.6 Large Molecules and Linear Scaling Methods
• 4.7 Dual-Basis Self-Consistent Field Calculations
• 4.8 Hartree-Fock and Density-Functional Perturbative Corrections
• 4.9 Unconventional SCF Calculations
• 4.10 Ground State Method Summary