Jack Sabin, Scientist and Friend, Volume 85 in the Advances in Quantum Chemistry series, highlights new advances in the field, with chapters in this new release including: Elastic scattering of electrons and positrons from alkali atoms, Dissipative dynamics in many-atom systems, Shape sensitive Raman scattering from Nano-particles, Experience in E-learning and Artificial Intelligence, Structure and Correlation of Charges in a Harmonic Trap, Simulation of Molecular Spectroscopy in Binary Solvents, Approach for Orbital and Total Mean Excitation Energies of Atoms, and A New Generation of Quasiparticle Self-Energies.
Additional sections cover: The stopping power of relativistic targets, Density functional methods for extended helical systems, Inspecting nlm-distributions due to charge exchange collisions of bare ions with hydrogen, Long-lived molecular dications: a selected probe for double ionization, and much more.
1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Series Page - p. iii 5. Copyright - p. iii 6. Contributors - p. iii 7. Preface - p. xv 8. Chapter One: Energy deposition in a many-atom system with dissipative dynamics - p. 1 9. Chapter Two: Shape-sensitive inelastic scattering from metallic nanoparticles - p. 17 10. Chapter Three: Artificial intelligence and E-learning - p. 31 11. Chapter Four: Structure and correlations for harmonically confined charges - p. 39 12. Chapter Five: New insights on nonlinear solvatochromism in binary mixture of solvents - p. 57 13. Chapter Six: Mean total and orbital excitation energies of atomic ions in two approaches of the Thomas–Fermi theory - p. 92 14. Chapter Seven: Recent progress in electron-propagator, extended-Koopmans-theorem and self-consistent-field approaches to the interpretation and prediction of electron binding energies - p. 109 15. Abstract - p. 109 16. 1 New diagonal self-energy approximations in electron-propagator theory - p. 110 17. 2 Approaching exact results with the extended Koopmans theorem - p. 137 18. 3 Interpretation of Δ-self-consistent-field calculations - p. 135 19. 4 Conclusions - p. 147 20. Acknowledgments - p. 148 21. References - p. 148 22. Chapter Eight: The electronic stopping power of heavy targets - p. 157 23. Chapter Nine: Density-functional methods for extended helical systems - p. 177 24. Chapter Ten: Atomic ionization, capture, and stopping cross sections by ion impact examined with the Benford law - p. 197 25. Chapter Eleven: Long-lived molecular dications: A selected probe for double ionization - p. 219 26. Chapter Twelve: Implicit and explicit solvent models have opposite effects on radiation damage rate constant for thymine - p. 245 27. Chapter Thirteen: Model dielectric functions for ion stopping: The relation between their shell corrections, plasmon dispersion and Compton profiles - p. 267 28. Chapter Fourteen: Hierarchical relaxation in frustrated systems - p. 303 29. Chapter Fifteen: Electronic stopping from orbital mean excitation energies including both projectile and target electronic structure - p. 327 30. Chapter Sixteen: The propensity of terpenes to invoke concerted reactions in their biosynthesis - p. 343 31. Chapter Seventeen: An ionic Hamiltonian for transition metal atoms: Kondo resonances and tunneling currents - p. 353 32. Index - p. 375
Jack Sabin, Scientist and Friend, Volume 85 in the Advances in Quantum Chemistry series, highlights new advances in the field, with chapters in this new release including: Elastic scattering of electrons and positrons from alkali atoms, Dissipative dynamics in many-atom systems, Shape sensitive Raman scattering from Nano-particles, Experience in E-learning and Artificial Intelligence, Structure and Correlation of Charges in a Harmonic Trap, Simulation of Molecular Spectroscopy in Binary Solvents, Approach for Orbital and Total Mean Excitation Energies of Atoms, and A New Generation of Quasiparticle Self-Energies.
Additional sections cover: The stopping power of relativistic targets, Density functional methods for extended helical systems, Inspecting nlm-distributions due to charge exchange collisions of bare ions with hydrogen, Long-lived molecular dications: a selected probe for double ionization, and much more.
1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Series Page - p. iii 5. Copyright - p. iii 6. Contributors - p. iii 7. Preface - p. xv 8. Chapter One: Energy deposition in a many-atom system with dissipative dynamics - p. 1 9. Chapter Two: Shape-sensitive inelastic scattering from metallic nanoparticles - p. 17 10. Chapter Three: Artificial intelligence and E-learning - p. 31 11. Chapter Four: Structure and correlations for harmonically confined charges - p. 39 12. Chapter Five: New insights on nonlinear solvatochromism in binary mixture of solvents - p. 57 13. Chapter Six: Mean total and orbital excitation energies of atomic ions in two approaches of the Thomas–Fermi theory - p. 92 14. Chapter Seven: Recent progress in electron-propagator, extended-Koopmans-theorem and self-consistent-field approaches to the interpretation and prediction of electron binding energies - p. 109 15. Abstract - p. 109 16. 1 New diagonal self-energy approximations in electron-propagator theory - p. 110 17. 2 Approaching exact results with the extended Koopmans theorem - p. 137 18. 3 Interpretation of Δ-self-consistent-field calculations - p. 135 19. 4 Conclusions - p. 147 20. Acknowledgments - p. 148 21. References - p. 148 22. Chapter Eight: The electronic stopping power of heavy targets - p. 157 23. Chapter Nine: Density-functional methods for extended helical systems - p. 177 24. Chapter Ten: Atomic ionization, capture, and stopping cross sections by ion impact examined with the Benford law - p. 197 25. Chapter Eleven: Long-lived molecular dications: A selected probe for double ionization - p. 219 26. Chapter Twelve: Implicit and explicit solvent models have opposite effects on radiation damage rate constant for thymine - p. 245 27. Chapter Thirteen: Model dielectric functions for ion stopping: The relation between their shell corrections, plasmon dispersion and Compton profiles - p. 267 28. Chapter Fourteen: Hierarchical relaxation in frustrated systems - p. 303 29. Chapter Fifteen: Electronic stopping from orbital mean excitation energies including both projectile and target electronic structure - p. 327 30. Chapter Sixteen: The propensity of terpenes to invoke concerted reactions in their biosynthesis - p. 343 31. Chapter Seventeen: An ionic Hamiltonian for transition metal atoms: Kondo resonances and tunneling currents - p. 353 32. Index - p. 375
