János Ángyán, John Dobson, Georg Jansen, Tim Gould

London Dispersion Forces in Molecules, Solids and Nano-structures (eBook, ePUB)

An Introduction to Physical Models and Computational Methods

• Format: ePub

Produktbeschreibung

London dispersion interactions are responsible for numerous phenomena in physics, chemistry and biology. Recent years have seen the development of new, physically well-founded models, and dispersion-corrected density functional theory (DFT) is now a hot topic of research. This book is an overview of current understanding of the physical origin and modelling of London dispersion forces manifested at an atomic level. It covers a wide range of system, from small intermolecular complexes, to organic molecules and crystalline solids, through to biological macromolecules and nanostructures. In presenting a broad overview of the of the physical foundations of dispersion forces, the book provides theoretical, physical and synthetic chemists, as well as solid-state physicists, with a systematic understanding of the origins and consequences of these ubiquitous interactions. The presentation is designed to be accessible to anyone with intermediate undergraduate mathematics, physics and chemistry.

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Produktdetails

• Verlag: RSC
• Seitenzahl: 434
• Erscheinungstermin: 3. April 2020
• Englisch
• ISBN-13: 9781839160189
• Artikelnr.: 59187792

Autorenporträt

János Ángyán is Director of Research at CNRS, France. His main research interest is the electronic structure of solids and intermolecular interactions.

Inhaltsangabe

Introduction; Basic Concepts from Toy Models; Macroscopic Lifshitz Approach; Supermolecular Wavefunction Methods; Intermolecular Perturbation Theory; Adiabatic Connection, Fluctuation-Dissipation Approach: RPA and Related Correlation Energy Methods; Dispersion Energy From Groundstate Electron "Densities"
( r
),
( r
), t( r
), etc.: Explicit Functionals; Dispersion Energies via Division Into Atoms or Larger Units; Some Chemical Effects of Dispersion Interactions; Periodic Solids; Low-dimensional Systems: Nanolayers, Nanotubes, Nanowires, etc.; Interaction of Molecules with Surfaces and Layers; Summary of Recommended Methods; Many-electron Quantum Mechanics; Linear Response and the Fluctuation-Dissipation Theorem; Basics of Groundstate Density Functional Theory; Some Useful Mathematics; Partitioning Into Atoms; Polarisation Approximation: Higher-order and Many-body Contributions