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The Schrödinger Equation

Type
Chapitres d'ouvrages scientifiques
Author
CHINESTA, Francisco
86289 Laboratoire Procédés et Ingénierie en Mécanique et Matériaux [PIMM]
ABISSET-CHAVANNE, Emmanuelle
111023 École Centrale de Nantes [ECN]
564849 ESI Group [ESI Group]

URI
http://hdl.handle.net/10985/18785
DOI
10.1007/978-3-319-70001-4_1
Date
2018

Abstract

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 easily derived. Another important output is the interatomic potentials responsible of the chemical bonds determining the structure and properties of materials. Even if the quantum framework is able to define the big picture, an important difficulty remains: the Schrödinger equation is defined in a highly multidimensional space and its solution is in most cases unattainable.

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