• Previous: The ALMO-CIS and ALMO-CIS+CT methods
• Up: Q-Chem 5.0 User’s Manual
• Next: Introduction

A Geometry Optimization with Q-Chem

• A.1 Introduction
• A.2 Theoretical Background
• A.3 Eigenvector-Following (EF) Algorithm
• A.4 Delocalized Internal Coordinates
• A.5 Constrained Optimization
• A.6 Delocalized Internal Coordinates
• A.7 GDIIS