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Molecular Dynamics

This molecular dynamics textbook takes the reader from classical mechanics to quantum mechanics and vice versa, and from few-body systems to many-body systems. It is self-contained, comprehensive, and builds the theory of molecular dynamics from basic principles to applications, allowing the subject...

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Dettagli Bibliografici
Autore principale: Santamaria, Ruben (Autore)
Ente Autore: SpringerLink (Online service)
Natura: Elettronico eBook
Lingua:inglese
Pubblicazione: Cham : Springer Nature Switzerland : Imprint: Springer, 2023.
Edizione:1st ed. 2023.
Soggetti:
Atoms.
Molecules.
Molecular dynamics.
Physical chemistry.
Mathematical physics.
Computer simulation.
Biophysics.
Atomic, Molecular and Chemical Physics.
Molecular Dynamics.
Physical Chemistry.
Computational Physics and Simulations.
Accesso online:https://doi.org/10.1007/978-3-031-37042-7
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Sommario:
  • Part I - BASICS OF CLASSICAL MECHANICS
  • Chapter 1: Principles of classical dynamics
  • Chapter 2: Foundations of Newtonian dynamics
  • Chapter 3: Many-particle systems
  • Chapter 4: Mechanical descriptors
  • Chapter 5: Rigid body
  • Chapter 6: Analytical Mechanics
  • Part 2 - BASICS OF QUANTUM MECHANICS
  • Chapter 7: Wave-particle duality of matter
  • Chapter 8: Quantization of the energy
  • Chapter 9: Quantization of the angular momentum
  • Chapter 10: Postulates of quantum mechanics
  • Part 3 - FIRST-PRINCIPLES MOLECULAR DYNAMICS
  • Chapter 11: Dynamics of electrons and nuclei
  • Chapter 12: Classical limit of the nuclear motion
  • Part 4 - CLASSICAL MOLECULAR DYNAMICS
  • Chapter 13: Classical molecular dynamics
  • Chapter 14: Extended systems
  • Part 5: TIME EVOLUTION OPERATORS
  • Chapter 15: Integrating the equations of motion.

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