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A Journey Around the Different Scales Involved in the Description of Matter and Complex Systems

Part of the SpringerBriefs in Applied Sciences and Technology Book Series

DOI: 10.1007/978-3-319-70001-4

ISBN: 978-3-319-70000-7

Publisher: Springer International Publishing - Springer Journals

Nov 29, 2017

1 - 4 of 4 Chapters

Available

The Schrödinger Equation

Chinesta, Francisco; Abisset-Chavanne, Emmanuelle

Pages: 1 –27

[The finest scale in the matter description consists of the one of quantum mechanics. In this chapter we revisit some valuable concepts of quantum mechanics, and more particularly the Schrödinger equation governing the time evolution of the so-called wavefunction, from which expectations can be...
Available

Ab-Initio Calculations

Chinesta, Francisco; Abisset-Chavanne, Emmanuelle

Pages: 29 –39

[Due to the difficulties found in the direct solution of the Schrödinger equation, different simplified approaches were proposed and are nowadays widely used. Among them, those most usually employed are the Hartree–Fock and the Density Functional Theory, which we revisit in the present chapter....
Available

Coarse-Grained Descriptions

Chinesta, Francisco; Abisset-Chavanne, Emmanuelle

Pages: 41 –68

[Coarse-grained approaches are widely considered for analyzing multiatomic systems. They are based on the used of simplified interatomic potentials, that allow deriving most of the macroscopic thermomechanical properties of materials. Molecular dynamics can coarsened at its turn leading to...
Available

Kinetic Theory Models

Chinesta, Francisco; Abisset-Chavanne, Emmanuelle

Pages: 69 –125

[Discrete techniques (MD or BD), despite their conceptual simplicity, are very often too expensive from the computational point of view. Kinetic theory approaches seem, in many cases, a suitable compromise between the accuracy of finer descriptions and the computational efficiency of macroscopic...

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