Contents

• List of Figures
• List of Tables
• Acknowledgements
• Abstract
• The electron force field, a method for simulating large-scale excited electron dynamics
  • Simulating excited electron dynamics in condensed matter
  • Electron force field makes large scale simulations possible.
  • Wave packet molecular dynamics
  • Reference methods for ground and excited states
  • History and current progress on the electron force field
  • Appendix A: Wave packet MD equations of motion
  • Appendix B: Adiabatic excited state dynamics
  
  
• Bibliography
• Development of an electron force field. I. Low Z atoms and hydrocarbons, and matter at extreme conditions
  • Introduction
  • General theory of the eFF
  • Validation against ground state systems
  • Application to matter at extreme conditions
  • Conclusion
  • Appendix A: Derivation of Pauli function terms
  • Appendix B: Derivation of the Saha equation
  • Appendix C: Hartree-Fock orbital energies versus photoelectron energies
  
  
• Bibliography
• Development of an electron force field. II. New treatment of p-like electrons, resulting in improved accuracy for first-row atoms, atom hydrides, and hydrocarbons
  • Introduction
  • Methods
  • Results and discussion
  • Conclusion
  • Supplemental tables
  
  
• Bibliography
• Development of an electron force field. III. Metallic electrons and the uniform electron gas. Creation of a correlation function
  • Introduction
  • Energy expressions
  • On the exchange and correlation partitioning of energies
  • Exchange and correlation functions for the uniform electron gas
  • Static properties of the uniform electron gas
  • Dynamic properties of the uniform electron gas
  • Exchange and correlation functions for systems with nuclei
  • Performance of new functions on systems with nuclei
  • Conclusion
  • Supplemental tables
  
  
• Bibliography
• About this document ...