Canonical Approaches to Interatomic Interactions

After completing his B.S. degree in chemistry at the University of Puerto Rico, Dr. Rivera went on to do an M.S. degree in inorganic chemistry, finally completing his Ph.D. in physical chemistry at Texas A&M University. After his Ph.D. he carried out postdoctoral research in theoretical chemistry, publishing 40 papers and giving multiple presentations in the area. Jay R. Walton earned his Ph.D. from Indiana University, and is now Professor of Mathematics, Professor of Aerospace Engineering and deputy director of the Institute for Applied Mathematics and Computational Science at Texas A&M university, USA. He has published over 90 papers.

Part 1: Introduction 1. The Born−Oppenheimer Approximation 2. Potential Energy Surfaces and Its Implications to Chemistry 3. Review of Modern Interpolations and Fitting Methods to Generate Potential Energy Surfaces. 4. The Hellmann−Feynman and the Virial Theorems Part 2: Canonical Approaches 5. Canonical Approaches to Pairwise Interatomic Interactions 6. Canonical Approaches to Forces in Molecules 7. Canonical Approaches and the Unification of Pairwise Interatomic Interactions Part 3: Applications and Case Studies 8. Canonical Approaches and the Born−Oppenheimer Approximation 9. Canonical Approaches and the Hellmann−Feynman and the Virial Theorems 10. Canonical Approaches to Generate Potential Energy Surfaces Part 4: Future Developments 11. Generalization of Canonical Approaches to Multidimensional Potential Energy Surfaces 12. Applications of Canonical Approaches to Molecular Dynamics Simulations