Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. vii 6. Preface - p. ix 7. Section A: Quantum Chemistry – Correlated Methods and Basis Sets - p. xi 8. Chapter One: Regularized and Renormalized Many-Body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective - p. xi 9. Chapter Two: On the Development of Accurate Gaussian Basis Sets for f-Block Elements - p. 45 10. Section B: Quantum Chemistry – High Performance Computing Applications - p. 74 11. Chapter Three: GronOR Nonorthogonal Configuration Interaction Calculations at Exascale - p. 74 12. Section C: Quantum Chemistry – Ab Initio Molecular Dynamics - p. 91 13. Chapter Four: Ab Initio Molecular Dynamics Simulations of Ionic Liquids - p. 91
Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.
1. Cover image - p. iv 2. Title page - p. iv 3. Table of Contents - p. iv 4. Copyright - p. iv 5. Contributors - p. vii 6. Preface - p. ix 7. Section A: Quantum Chemistry – Correlated Methods and Basis Sets - p. xi 8. Chapter One: Regularized and Renormalized Many-Body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective - p. xi 9. Chapter Two: On the Development of Accurate Gaussian Basis Sets for f-Block Elements - p. 45 10. Section B: Quantum Chemistry – High Performance Computing Applications - p. 74 11. Chapter Three: GronOR Nonorthogonal Configuration Interaction Calculations at Exascale - p. 74 12. Section C: Quantum Chemistry – Ab Initio Molecular Dynamics - p. 91 13. Chapter Four: Ab Initio Molecular Dynamics Simulations of Ionic Liquids - p. 91
