London Dispersion Forces in Molecules, Solids and Nano-structures : an introduction to physical models and computational methods /by János Ángyán, John Dobson, Georg Jansen and Tim Gould.

E-bokEngelska2020

Förlag, utgivningsår, omfång ...

Publicerad:Cambridge :Publicerad:Royal Society of Chemistry,Publicerad:2020
online resource (xxiii, 434 sidor)illustrationer
texttxtrdacontent
computercrdamedia
online resourcecrrdacarrier

Nummerbeteckningar

LIBRIS-ID:q4kwlm71n9lr5xdw
ISBN:9781782623861
ISBN:9781839160189
Ogiltigt nummer / annan version:9781782620457 (Print)
Ogiltigt nummer / annan version:1782620451 (Print)

Kompletterande språkuppgifter

Språk:engelska

Klassifikation

DDC:541.226 23/swe
Uceebkssb/8

Serie

Theoretical and Computaional Chemistry Series,2041-319X ;16

Anmärkningar

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” ρ(r⃑), ∇ρ(r⃑), τ(r⃑), 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 -- APPENDIX 1: Many-electron Quantum Mechanics -- APPENDIX 2: Linear Response and the Fluctuation–Dissipation Theorem -- APPENDIX 3: Basics of Groundstate Density Functional Theory -- APPENDIX 4: Some Useful Mathematics -- APPENDIX 5: Partitioning Into Atoms -- APPENDIX 6: Polarisation Approximation: Higher-order and Many-body Contributions
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.

Ämnesord och genrebeteckningar

Biuppslag (personer, institutioner, konferenser, titlar ...)

Ángyán, János,1956- (författare)
Dobson, John (författare)
Jansen, Georg (författare)
Gould, Tim (författare)

Sammanhörande titlar

Annan version:PrintLondon Dispersion Forces in Molecules, Solids and Nano-structures97817826204571782620451

Seriebiuppslag

Theoretical and Computaional Chemistry Series,2041-319X ;16

Internetlänk

https://doi.org/10.1039/9781782623861Table of contents

SAB-rubrik

UceebMolekylstruktur och atomstruktur

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