Electron Dynamics in Molecular Interactions : Principles and Applications.

This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Hagelberg, Frank
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Singapore : World Scientific Publishing Company, 2013.
Temas:
Molecular dynamics.
Electrons.
Electrons
Dynamique moléculaire.
Électrons.
SCIENCE > Chemistry > Physical & Theoretical.
Molecular dynamics
Acceso en línea:Texto completo
Tabla de Contenidos:
  • pt. I. Preparations. 1. Ab initio theory of electronic structure
  • 2. The adiabatic and the diabatic representation
  • 3. Basic concepts of scattering theory
  • 4. Semiclassical notions
  • 5. Open systems: Elements of rate theory
  • pt. II. Methods. 6. Time-independent theory of molecular collisions I: Multichannel scattering
  • 7. Time-independent theory of molecular collisions II: The electronic problem
  • 8. The time-dependent self-consistent field theory
  • 9. Evolution of coherent molecular states: Electron nuclear dynamics theory
  • 10. The classical electron analog
  • 11. Hopping and spawning
  • 12. Semiclassical propagator techniques
  • 13. Quantum hydrodynamics I: Coupled trajectories in Bohmian mechanics
  • 14. Quantum hydrodynamics II: The semiclassical Liouville-Von Neumann equation
  • 15. Wave packet propagation methods
  • 16. Density functional dynamics
  • 17. Decoherence
  • pt. III. Special topics. 18. Ultrafast optical spectroscopy
  • 19. Optical control of electron multistate molecular dynamics
  • 20. Electron transfer in condensed media
  • 21. Electronic friction in molecule-surface interactions.

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