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Theoretical and Computational Chemistry Series
London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods
By
John Dobson;
John Dobson
Professor of Physics, Griffith University, Australia
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Georg Jansen;
Georg Jansen
University of Duisburg-Essen, Germany
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Tim Gould
Tim Gould
Griffith University, Australia
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Hardback ISBN:
978-1-78262-045-7
PDF ISBN:
978-1-78262-386-1
EPUB ISBN:
978-1-83916-018-9
Special Collection:
2020 ebook collection
No. of Pages:
434
Publication date:
03 Apr 2020
Book Chapter
CHAPTER 7: Dispersion Energy From Groundstate Electron “Densities” ρ(r⃑), ∇ρ(r⃑), τ(r⃑), etc.: Explicit Functionals
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Published:03 Apr 2020
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Special Collection: 2020 ebook collection
Page range:
173 - 199
Citation
London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods, The Royal Society of Chemistry, 2020, pp. 173-199.
Download citation file:
The commonest (semi-local) Density Functional Theory approaches to the electronic correlation energy do not contain the dispersion (van der Waals) energy, at least not for well-separated systems. Here we consider relatively recent, fully nonlocal but explicit electronic Density Functional approaches that remedy this difficulty.
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