Description: Further DetailsTitle: Electron DensityCondition: NewSubtitle: Concepts, Computation and DFT ApplicationsEAN: 9781394217625ISBN: 9781394217625Publisher: John Wiley & Sons IncFormat: HardbackRelease Date: 08/08/2024Description: Discover theoretical, methodological, and applied perspectives on electron density studies and density functional theory Electron density or the single particle density is a 3D function even for a many-electron system. Electron density contains all information regarding the ground state and also about some excited states of an atom or a molecule. All the properties can be written as functionals of electron density, and the energy attains its minimum value for the true density. It has been used as the basis for a quantum chemical computational method called Density Functional Theory, or DFT, which can be used to determine various properties of molecules. DFT brings out a drastic reduction in computational cost due to its reduced dimensionality. Thus, DFT is considered to be the workhorse for modern computational chemistry, physics as well as materials science. Electron Density: Concepts, Computation and DFT Applications offers an introduction to the foundations and applications of electron density studies and analysis. Beginning with an overview of major methodological and conceptual issues in electron density, it analyzes DFT and its major successful applications. The result is a state-of-the-art reference for a vital tool in a range of experimental sciences. Readers will also find: A balance of fundamentals and applications to facilitate use by both theoretical and computational scientists Detailed discussion of topics including the Levy-Perdew-Sahni equation, the Kohn Sham Inversion problem, and more Analysis of DFT applications including the determination of structural, magnetic, and electronic properties Electron Density: Concepts, Computation and DFT Applications is ideal for academic researchers in quantum, theoretical, and computational chemistry and physics.Language: EnglishCountry/Region of Manufacture: USItem Height: 261mmItem Length: 185mmItem Width: 41mmItem Weight: 1606gContributor: Pratim Kumar Chattaraj (Edited by), Debdutta Chakraborty (Edited by)Author: Pratim Kumar ChattarajGenre: Science Nature & MathRelease Year: 2024 Missing Information?Please contact us if any details are missing and where possible we will add the information to our listing.
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Book Title: Electron Density
Title: Electron Density
Subtitle: Concepts, Computation and DFT Applications
EAN: 9781394217625
ISBN: 9781394217625
Release Date: 08/08/2024
Release Year: 2024
Country/Region of Manufacture: US
Contributor: Debdutta Chakraborty (Edited by)
Genre: Science Nature & Math
Number of Pages: 608 Pages
Publication Name: Electron Density : concepts, Computation and Dft Applications
Language: English
Publisher: Wiley & Sons, Incorporated, John
Subject: Chemistry / Physical & Theoretical, Physics / General
Publication Year: 2024
Item Height: 1.6 in
Type: Textbook
Item Weight: 56.8 Oz
Item Length: 10.3 in
Author: Debdutta Chakraborty
Subject Area: Science
Item Width: 7.3 in
Format: Hardcover
